CID 163880833
N-nitroso varenicline
Structural Information
- Molecular Formula
- C13H12N4O
- SMILES
- C1C2CN(CC1C3=CC4=NC=CN=C4C=C23)N=O
- InChI
- InChI=1S/C13H12N4O/c18-16-17-6-8-3-9(7-17)11-5-13-12(4-10(8)11)14-1-2-15-13/h1-2,4-5,8-9H,3,6-7H2
- InChIKey
- PTBAEGOZXFWTJH-UHFFFAOYSA-N
- Compound name
- 14-nitroso-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 241.10838 | 150.1 |
[M+Na]+ | 263.09032 | 159.5 |
[M-H]- | 239.09382 | 152.1 |
[M+NH4]+ | 258.13492 | 169.3 |
[M+K]+ | 279.06426 | 155.1 |
[M+H-H2O]+ | 223.09836 | 140.9 |
[M+HCOO]- | 285.09930 | 167.8 |
[M+CH3COO]- | 299.11495 | 161.9 |
[M+Na-2H]- | 261.07577 | 158.9 |
[M]+ | 240.10055 | 150.5 |
[M]- | 240.10165 | 150.5 |
Literature stripe
No literature data available for this compound.