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]+ 333.067026 170.8
[M+Na]+ 355.048968 175.8
[M-H]- 331.052474 176.2
[M+NH4]+ 350.093573 182.4
[M+K]+ 371.022908 173.1
[M+H-H2O]+ 315.057010 163.9
[M+HCOO]- 377.057951 178.4
[M+CH3COO]- 391.073601 203.8
[M+Na-2H]- 353.034416 173.0
[M]+ 332.05920142 172.2
[M]- 332.06029858 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.