CID 460658

N-[2-(4-aminophenyl)sulfonylphenyl]sulfonylacetamide

Structural Information

Molecular Formula
C14H14N2O5S2
SMILES
CC(=O)NS(=O)(=O)C1=CC=CC=C1S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H14N2O5S2/c1-10(17)16-23(20,21)14-5-3-2-4-13(14)22(18,19)12-8-6-11(15)7-9-12/h2-9H,15H2,1H3,(H,16,17)
InChIKey
QGVNXASOUMHFKI-UHFFFAOYSA-N
Compound name
N-[2-(4-aminophenyl)sulfonylphenyl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.03442 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.04170 178.1
[M+Na]+ 377.02364 184.9
[M-H]- 353.02714 183.6
[M+NH4]+ 372.06824 189.9
[M+K]+ 392.99758 179.2
[M+H-H2O]+ 337.03168 170.4
[M+HCOO]- 399.03262 190.4
[M+CH3COO]- 413.04827 209.7
[M+Na-2H]- 375.00909 182.1
[M]+ 354.03387 179.8
[M]- 354.03497 179.8
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.