CID 118664

34375-33-2

Structural Information

Molecular Formula
C25H20N6O7S2
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)N=NC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)N=NC4=CC(=CC=C4)S(=O)(=O)O
InChI
InChI=1S/C25H20N6O7S2/c32-25(26-17-7-11-19(12-8-17)28-30-21-3-1-5-23(15-21)39(33,34)35)27-18-9-13-20(14-10-18)29-31-22-4-2-6-24(16-22)40(36,37)38/h1-16H,(H2,26,27,32)(H,33,34,35)(H,36,37,38)
InChIKey
ISYRIUFIGSOPIM-UHFFFAOYSA-N
Compound name
3-[[4-[[4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.0835 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.09078 222.6
[M+Na]+ 603.07272 230.7
[M+NH4]+ 598.11732 225.0
[M+K]+ 619.04666 223.5
[M-H]- 579.07622 229.7
[M+Na-2H]- 601.05817 234.1
[M]+ 580.08295 226.2
[M]- 580.08405 226.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.