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 168.6
[M+Na]+ 338.03365 177.6
[M+NH4]+ 333.07825 174.8
[M+K]+ 354.00759 172.5
[M-H]- 314.03715 170.2
[M+Na-2H]- 336.01910 174.0
[M]+ 315.04388 170.6
[M]- 315.04498 170.6
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.