CID 16226945

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

Structural Information

Molecular Formula
C13H17ClN2O4S
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)CCl
InChI
InChI=1S/C13H17ClN2O4S/c14-9-13(17)15-10-11-1-3-12(4-2-11)21(18,19)16-5-7-20-8-6-16/h1-4H,5-10H2,(H,15,17)
InChIKey
XSKGGYDKZGLYLO-UHFFFAOYSA-N
Compound name
2-chloro-N-[(4-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 171.4
[M+Na]+ 355.04897 176.8
[M-H]- 331.05247 176.7
[M+NH4]+ 350.09357 183.1
[M+K]+ 371.02291 173.5
[M+H-H2O]+ 315.05701 164.3
[M+HCOO]- 377.05795 180.0
[M+CH3COO]- 391.07360 202.9
[M+Na-2H]- 353.03442 174.6
[M]+ 332.05920 173.3
[M]- 332.06030 173.3
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.