CID 4354027

2-chloro-n-[3-(morpholine-4-sulfonyl)phenyl]propanamide

Structural Information

Molecular Formula
C13H17ClN2O4S
SMILES
CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)Cl
InChI
InChI=1S/C13H17ClN2O4S/c1-10(14)13(17)15-11-3-2-4-12(9-11)21(18,19)16-5-7-20-8-6-16/h2-4,9-10H,5-8H2,1H3,(H,15,17)
InChIKey
IBHDFRKEEOEOHR-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-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 170.8
[M+Na]+ 355.04897 175.8
[M-H]- 331.05247 176.2
[M+NH4]+ 350.09357 182.4
[M+K]+ 371.02291 173.1
[M+H-H2O]+ 315.05701 163.9
[M+HCOO]- 377.05795 178.4
[M+CH3COO]- 391.07360 203.8
[M+Na-2H]- 353.03442 173.0
[M]+ 332.05920 172.2
[M]- 332.06030 172.2
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.