CID 460665

N-[2-amino-5-(4-aminophenyl)sulfonyl-phenyl]sulfonylacetamide

Structural Information

Molecular Formula
C14H15N3O5S2
SMILES
CC(=O)NS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)N)N
InChI
InChI=1S/C14H15N3O5S2/c1-9(18)17-24(21,22)14-8-12(6-7-13(14)16)23(19,20)11-4-2-10(15)3-5-11/h2-8H,15-16H2,1H3,(H,17,18)
InChIKey
XEMPNYNSWVLIRE-UHFFFAOYSA-N
Compound name
N-[2-amino-5-(4-aminophenyl)sulfonylphenyl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.04532 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.05260 181.0
[M+Na]+ 392.03454 187.4
[M-H]- 368.03804 185.9
[M+NH4]+ 387.07914 191.6
[M+K]+ 408.00848 181.4
[M+H-H2O]+ 352.04258 173.0
[M+HCOO]- 414.04352 193.3
[M+CH3COO]- 428.05917 215.9
[M+Na-2H]- 390.01999 184.4
[M]+ 369.04477 181.3
[M]- 369.04587 181.3
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.