CID 5182600

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

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O₄S

SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)Cl)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C14H19ClN2O4S/c1-10-3-4-12(16-14(18)11(2)15)9-13(10)22(19,20)17-5-7-21-8-6-17/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)

InChIKey

ZEGMZAATHVAXFR-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 346.0754 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	347.082676	175.1
[M+Na]+	369.064618	180.6
[M-H]-	345.068124	180.7
[M+NH4]+	364.109223	186.5
[M+K]+	385.038558	177.7
[M+H-H2O]+	329.072660	168.3
[M+HCOO]-	391.073601	182.4
[M+CH3COO]-	405.089251	208.0
[M+Na-2H]-	367.050066	176.3
[M]+	346.07485142	177.3
[M]-	346.07594858	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.