CID 166522
Dtxsid70868573
Structural Information
- Molecular Formula
- C34H29N11O6
- SMILES
- CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)O)N=NC4C(=NN(C4=O)C5=CC=C(C=C5)N)C)C(=O)O)C6=CC=C(C=C6)N
- InChI
- InChI=1S/C34H29N11O6/c1-17-29(32(48)44(42-17)23-9-4-20(35)5-10-23)40-38-26-13-8-22(16-25(26)34(50)51)37-31(47)19-3-14-28(46)27(15-19)39-41-30-18(2)43-45(33(30)49)24-11-6-21(36)7-12-24/h3-16,29-30,46H,35-36H2,1-2H3,(H,37,47)(H,50,51)
- InChIKey
- TYTTWEGYXSNOBA-UHFFFAOYSA-N
- Compound name
- 2-[[1-(4-aminophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-[[3-[[1-(4-aminophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-hydroxybenzoyl]amino]benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 688.23748 | 252.2 |
[M+Na]+ | 710.21942 | 260.4 |
[M-H]- | 686.22292 | 249.7 |
[M+NH4]+ | 705.26402 | 255.7 |
[M+K]+ | 726.19336 | 256.0 |
[M+H-H2O]+ | 670.22746 | 231.5 |
[M+HCOO]- | 732.22840 | 256.6 |
[M+CH3COO]- | 746.24405 | 259.7 |
[M+Na-2H]- | 708.20487 | 269.9 |
[M]+ | 687.22965 | 286.1 |
[M]- | 687.23075 | 286.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.