CID 456828

4acnphso2n2 ac

Structural Information

Molecular Formula
C10H13N3O4S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C
InChI
InChI=1S/C10H13N3O4S/c1-7(14)11-9-3-5-10(6-4-9)18(16,17)13-12-8(2)15/h3-6,13H,1-2H3,(H,11,14)(H,12,15)
InChIKey
PIVAIPINVJVKAZ-UHFFFAOYSA-N
Compound name
N-[4-(acetamidosulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.06268 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06996 157.2
[M+Na]+ 294.05190 162.7
[M-H]- 270.05540 160.7
[M+NH4]+ 289.09650 172.5
[M+K]+ 310.02584 160.3
[M+H-H2O]+ 254.05994 150.0
[M+HCOO]- 316.06088 176.7
[M+CH3COO]- 330.07653 200.2
[M+Na-2H]- 292.03735 161.2
[M]+ 271.06213 158.3
[M]- 271.06323 158.3
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.