| SpectraBase Spectrum ID |
awBT3wA5Gs |
| Name |
NECA -2H2O @ |
| Classification |
Adenosine receptor
agonist |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
272.102173648 u |
| Formula |
C12H12N6O2 |
| InChI |
InChI=1S/C12H12N6O2/c1-2-14-12(19)7-3-4-8(20-7)18-6-17-9-10(13)15-5-16-11(9)18/h3-6H,2H2,1H3,(H,14,19)(H2,13,15,16) |
| InChIKey |
SWWLYAYBEVDADM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
272.268 g/mol |
| Related CAS Registry Number(s) |
35920-39-9 |
| SMILES |
CCNC(c1ccc(-[n]2c3c(c(ncn3)N)nc2)o1)=O |
| SPLASH |
splash10-00b9-6890000000-a0ddea004c322e7f0eb1 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
N-Ethylcarboxamido-adenosine -2H2O
N-Ethylcarboxamido-adenosine -2H2O |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_3093 |
