CID 225366

Nsc14652

Structural Information

Molecular Formula
C18H18N4O4S2
SMILES
C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C18H18N4O4S2/c19-13-4-8-17(9-5-13)27(23,24)21-15-2-1-3-16(12-15)22-28(25,26)18-10-6-14(20)7-11-18/h1-12,21-22H,19-20H2
InChIKey
GFVJXVJRNPEFTI-UHFFFAOYSA-N
Compound name
4-amino-N-[3-[(4-aminophenyl)sulfonylamino]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.07693 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.08421 191.8
[M+Na]+ 441.06615 197.6
[M-H]- 417.06965 199.3
[M+NH4]+ 436.11075 199.8
[M+K]+ 457.04009 189.9
[M+H-H2O]+ 401.07419 182.4
[M+HCOO]- 463.07513 206.0
[M+CH3COO]- 477.09078 227.5
[M+Na-2H]- 439.05160 198.2
[M]+ 418.07638 190.3
[M]- 418.07748 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.