CID 136228195
1395346-28-7
Structural Information
- Molecular Formula
- C28H19N3O6
- SMILES
- C1=CC=C(C(=C1)C2=NC(=NN2C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4OC(=O)C5=CC=CC=C5O)O
- InChI
- InChI=1S/C28H19N3O6/c32-22-10-4-1-7-19(22)26-29-25(30-31(26)18-15-13-17(14-16-18)27(34)35)21-9-3-6-12-24(21)37-28(36)20-8-2-5-11-23(20)33/h1-16,32-33H,(H,34,35)
- InChIKey
- AMIJCIIYZDKOKA-UHFFFAOYSA-N
- Compound name
- 4-[3-[2-(2-hydroxybenzoyl)oxyphenyl]-5-(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 494.13466 | 214.2 |
[M+Na]+ | 516.11660 | 220.1 |
[M-H]- | 492.12010 | 223.5 |
[M+NH4]+ | 511.16120 | 215.1 |
[M+K]+ | 532.09054 | 214.0 |
[M+H-H2O]+ | 476.12464 | 201.5 |
[M+HCOO]- | 538.12558 | 228.5 |
[M+CH3COO]- | 552.14123 | 220.6 |
[M+Na-2H]- | 514.10205 | 212.2 |
[M]+ | 493.12683 | 214.6 |
[M]- | 493.12793 | 214.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.