CID 5491134

72829-29-9

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
2
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]+ 541.08461 208.9
[M+Na]+ 563.06655 219.9
[M+NH4]+ 558.11115 212.8
[M+K]+ 579.04049 214.5
[M-H]- 539.07005 216.2
[M+Na-2H]- 561.05200 220.2
[M]+ 540.07678 213.1
[M]- 540.07788 213.1
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.