CID 3827773

743444-65-7

Structural Information

Molecular Formula
C13H17ClN2O4S
SMILES
CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)Cl
InChI
InChI=1S/C13H17ClN2O4S/c1-10(14)13(17)15-11-2-4-12(5-3-11)21(18,19)16-6-8-20-9-7-16/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKey
LBTLDDGGEPEYCT-UHFFFAOYSA-N
Compound name
2-chloro-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.05975 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06703 171.1
[M+Na]+ 355.04897 180.9
[M+NH4]+ 350.09357 177.1
[M+K]+ 371.02291 175.1
[M-H]- 331.05247 173.6
[M+Na-2H]- 353.03442 175.6
[M]+ 332.05920 173.7
[M]- 332.06030 173.7
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.