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 228.3
[M+Na]+ 603.07272 231.0
[M-H]- 579.07622 241.0
[M+NH4]+ 598.11732 229.7
[M+K]+ 619.04666 226.4
[M+H-H2O]+ 563.08076 215.7
[M+HCOO]- 625.08170 246.9
[M+CH3COO]- 639.09735 263.5
[M+Na-2H]- 601.05817 239.5
[M]+ 580.08295 231.4
[M]- 580.08405 231.4
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.