CID 4229830
(5-amino-1-phenyl-1h-pyrazol-4-yl)(m-tolyl)methanone
Structural Information
- Molecular Formula
- C17H15N3O
- SMILES
- CC1=CC(=CC=C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N
- InChI
- InChI=1S/C17H15N3O/c1-12-6-5-7-13(10-12)16(21)15-11-19-20(17(15)18)14-8-3-2-4-9-14/h2-11H,18H2,1H3
- InChIKey
- PAYNTIBIKBNHHH-UHFFFAOYSA-N
- Compound name
- (5-amino-1-phenylpyrazol-4-yl)-(3-methylphenyl)methanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 278.12880 | 165.2 |
[M+Na]+ | 300.11074 | 179.8 |
[M+NH4]+ | 295.15534 | 172.9 |
[M+K]+ | 316.08468 | 174.2 |
[M-H]- | 276.11424 | 170.7 |
[M+Na-2H]- | 298.09619 | 175.1 |
[M]+ | 277.12097 | 168.8 |
[M]- | 277.12207 | 168.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.