CID 166292
72639-29-3
Structural Information
- Molecular Formula
- C29H17Cl2N5O13S4
- SMILES
- C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)C3=CC4=C(C=C3)N=C(C(=N4)Cl)Cl)N=NC5=CC6=C(C=C(C=C6S(=O)(=O)O)S(=O)(=O)O)C(=C5)S(=O)(=O)O
- InChI
- InChI=1S/C29H17Cl2N5O13S4/c30-27-28(31)33-22-8-13(4-5-20(22)32-27)29(37)34-21-7-6-19(16-2-1-3-23(26(16)21)51(41,42)43)36-35-14-9-17-18(24(10-14)52(44,45)46)11-15(50(38,39)40)12-25(17)53(47,48)49/h1-12H,(H,34,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)
- InChIKey
- MJITWUVNFADRRM-UHFFFAOYSA-N
- Compound name
- 7-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,3,5-trisulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 841.91554 | 224.6 |
[M+Na]+ | 863.89748 | 239.5 |
[M-H]- | 839.90098 | 227.3 |
[M+NH4]+ | 858.94208 | 231.4 |
[M+K]+ | 879.87142 | 223.0 |
[M+H-H2O]+ | 823.90552 | 213.7 |
[M+HCOO]- | 885.90646 | 233.3 |
[M+CH3COO]- | 899.92211 | 237.0 |
[M+Na-2H]- | 861.88293 | 242.9 |
[M]+ | 840.90771 | 263.2 |
[M]- | 840.90881 | 263.2 |
Literature stripe
No literature data available for this compound.