CID 166447
Dtxsid00888466
Structural Information
- Molecular Formula
- C14H12N4O2
- SMILES
- CC1=CC=C(C=C1)N=NC2=C(C(=C(NC2=O)O)C#N)C
- InChI
- InChI=1S/C14H12N4O2/c1-8-3-5-10(6-4-8)17-18-12-9(2)11(7-15)13(19)16-14(12)20/h3-6H,1-2H3,(H2,16,19,20)
- InChIKey
- GQTIFDAKWBGUAT-UHFFFAOYSA-N
- Compound name
- 2-hydroxy-4-methyl-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 269.10332 | 164.4 |
[M+Na]+ | 291.08526 | 175.6 |
[M-H]- | 267.08876 | 169.2 |
[M+NH4]+ | 286.12986 | 177.5 |
[M+K]+ | 307.05920 | 170.8 |
[M+H-H2O]+ | 251.09330 | 149.5 |
[M+HCOO]- | 313.09424 | 185.7 |
[M+CH3COO]- | 327.10989 | 213.7 |
[M+Na-2H]- | 289.07071 | 168.3 |
[M]+ | 268.09549 | 160.0 |
[M]- | 268.09659 | 160.0 |
Literature stripe
No literature data available for this compound.