CID 5743816

84100-91-4

Structural Information

Molecular Formula
C18H15N3O6S
SMILES
C1=CC(=CC=C1NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)O)[N+](=O)[O-])O
InChI
InChI=1S/C18H15N3O6S/c22-14-5-1-12(2-6-14)19-17-10-9-16(11-18(17)21(24)25)28(26,27)20-13-3-7-15(23)8-4-13/h1-11,19-20,22-23H
InChIKey
BZMNJADAIGWBPM-UHFFFAOYSA-N
Compound name
4-(4-hydroxyanilino)-N-(4-hydroxyphenyl)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

401.06815 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.075426 183.9
[M+Na]+ 424.057368 188.0
[M-H]- 400.060874 191.0
[M+NH4]+ 419.101973 191.3
[M+K]+ 440.031308 178.4
[M+H-H2O]+ 384.065410 178.9
[M+HCOO]- 446.066351 202.1
[M+CH3COO]- 460.082001 212.4
[M+Na-2H]- 422.042816 191.7
[M]+ 401.06760142 181.9
[M]- 401.06869858 181.9
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

patents stripe