CID 3014496
Chromate(3-), bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h-pyrazol-4-yl)azo)-4-hydroxybenzenesulfonato(3-))-, trisodium
Structural Information
- Molecular Formula
- C16H14N4O5S
- SMILES
- CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)O)O)C3=CC=CC=C3
- InChI
- InChI=1S/C16H14N4O5S/c1-10-15(16(22)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(26(23,24)25)7-8-14(13)21/h2-9,15,21H,1H3,(H,23,24,25)
- InChIKey
- YSDKKYUWKXPOPQ-UHFFFAOYSA-N
- Compound name
- 4-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 375.07576 | 184.3 |
[M+Na]+ | 397.05770 | 193.6 |
[M-H]- | 373.06120 | 193.0 |
[M+NH4]+ | 392.10230 | 195.3 |
[M+K]+ | 413.03164 | 189.0 |
[M+H-H2O]+ | 357.06574 | 175.5 |
[M+HCOO]- | 419.06668 | 203.1 |
[M+CH3COO]- | 433.08233 | 216.9 |
[M+Na-2H]- | 395.04315 | 187.0 |
[M]+ | 374.06793 | 188.3 |
[M]- | 374.06903 | 188.3 |
Literature stripe
No literature data available for this compound.