CID 2513400
1-(4-methylphenyl)-3-phenyl-1h-pyrazole-4-carboxylic acid
Structural Information
- Molecular Formula
- C17H14N2O2
- SMILES
- CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)O
- InChI
- InChI=1S/C17H14N2O2/c1-12-7-9-14(10-8-12)19-11-15(17(20)21)16(18-19)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
- InChIKey
- LNXXVLMXQUWUNK-UHFFFAOYSA-N
- Compound name
- 1-(4-methylphenyl)-3-phenylpyrazole-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 279.11281 | 163.4 |
[M+Na]+ | 301.09475 | 172.0 |
[M-H]- | 277.09825 | 170.0 |
[M+NH4]+ | 296.13935 | 177.5 |
[M+K]+ | 317.06869 | 166.8 |
[M+H-H2O]+ | 261.10279 | 154.2 |
[M+HCOO]- | 323.10373 | 184.3 |
[M+CH3COO]- | 337.11938 | 175.1 |
[M+Na-2H]- | 299.08020 | 165.8 |
[M]+ | 278.10498 | 163.5 |
[M]- | 278.10608 | 163.5 |
Literature stripe
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