CID 5181298
10180-08-2
Structural Information
- Molecular Formula
- C23H20N2O3
- SMILES
- COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4
- InChI
- InChI=1S/C23H20N2O3/c1-28-20-13-9-17(10-14-20)22-15-21(16-5-3-2-4-6-16)24-25(22)19-11-7-18(8-12-19)23(26)27/h2-14,22H,15H2,1H3,(H,26,27)
- InChIKey
- JEJBPHYWZWXQDE-UHFFFAOYSA-N
- Compound name
- 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 373.15468 | 189.0 |
[M+Na]+ | 395.13662 | 195.6 |
[M-H]- | 371.14012 | 198.1 |
[M+NH4]+ | 390.18122 | 198.4 |
[M+K]+ | 411.11056 | 189.5 |
[M+H-H2O]+ | 355.14466 | 177.8 |
[M+HCOO]- | 417.14560 | 207.6 |
[M+CH3COO]- | 431.16125 | 198.4 |
[M+Na-2H]- | 393.12207 | 188.7 |
[M]+ | 372.14685 | 188.6 |
[M]- | 372.14795 | 188.6 |