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

1
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

patents stripe