CID 39869412

2-chloro-n-{[2-(morpholine-4-sulfonyl)phenyl]methyl}acetamide

Structural Information

Molecular Formula
C13H17ClN2O4S
SMILES
C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC(=O)CCl
InChI
InChI=1S/C13H17ClN2O4S/c14-9-13(17)15-10-11-3-1-2-4-12(11)21(18,19)16-5-7-20-8-6-16/h1-4H,5-10H2,(H,15,17)
InChIKey
KSFIRGQJUIMIAA-UHFFFAOYSA-N
Compound name
2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.05975 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06703 171.7
[M+Na]+ 355.04897 181.9
[M+NH4]+ 350.09357 177.9
[M+K]+ 371.02291 175.3
[M-H]- 331.05247 174.5
[M+Na-2H]- 353.03442 176.5
[M]+ 332.05920 174.5
[M]- 332.06030 174.5
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.