CID 3791011

790270-97-2

Structural Information

Molecular Formula
C12H14ClN3O3S
SMILES
C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CCl
InChI
InChI=1S/C12H14ClN3O3S/c13-8-12(17)15-9-3-1-4-10(7-9)20(18,19)16-11-5-2-6-14-11/h1,3-4,7H,2,5-6,8H2,(H,14,16)(H,15,17)
InChIKey
ZLURZUOKHVNOTM-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

315.04443 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.05171 169.3
[M+Na]+ 338.03365 176.4
[M-H]- 314.03715 175.0
[M+NH4]+ 333.07825 184.8
[M+K]+ 354.00759 171.5
[M+H-H2O]+ 298.04169 162.6
[M+HCOO]- 360.04263 183.3
[M+CH3COO]- 374.05828 201.1
[M+Na-2H]- 336.01910 171.9
[M]+ 315.04388 171.7
[M]- 315.04498 171.7
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.