CID 31400

Acetosulfone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1580
Patents

369.04532 Da
Monoisotopic Mass

0.1
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

patents stripe