CID 5491134

Benzenesulfonic acid, 5-((2-nitro-4-((phenylamino)sulfonyl)phenyl)amino)-2-(phenylamino)-

Structural Information

Molecular Formula
C24H20N4O7S2
SMILES
C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4)[N+](=O)[O-])S(=O)(=O)O
InChI
InChI=1S/C24H20N4O7S2/c29-28(30)23-16-20(36(31,32)27-18-9-5-2-6-10-18)12-14-21(23)26-19-11-13-22(24(15-19)37(33,34)35)25-17-7-3-1-4-8-17/h1-16,25-27H,(H,33,34,35)
InChIKey
SACDZYZLZGGBFR-UHFFFAOYSA-N
Compound name
2-anilino-5-[2-nitro-4-(phenylsulfamoyl)anilino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

540.07733 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.084606 213.9
[M+Na]+ 563.066548 214.9
[M-H]- 539.070054 223.0
[M+NH4]+ 558.111153 214.7
[M+K]+ 579.040488 204.0
[M+H-H2O]+ 523.074590 206.7
[M+HCOO]- 585.075531 226.8
[M+CH3COO]- 599.091181 238.5
[M+Na-2H]- 561.051996 225.5
[M]+ 540.07678142 211.4
[M]- 540.07787858 211.4
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.