CID 3434497

2-chloro-n-[4-(dimethylamino)phenyl]propanamide hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O

SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)Cl

InChI

InChI=1S/C11H15ClN2O/c1-8(12)11(15)13-9-4-6-10(7-5-9)14(2)3/h4-8H,1-3H3,(H,13,15)

InChIKey

OAIDFHBXMANHNY-UHFFFAOYSA-N

Compound name

2-chloro-N-[4-(dimethylamino)phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.0873 Da
Monoisotopic Mass: 2.0
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]+	227.094576	150.7
[M+Na]+	249.076518	157.3
[M-H]-	225.080024	155.7
[M+NH4]+	244.121123	169.9
[M+K]+	265.050458	155.0
[M+H-H2O]+	209.084560	145.0
[M+HCOO]-	271.085501	171.1
[M+CH3COO]-	285.101151	197.7
[M+Na-2H]-	247.061966	153.9
[M]+	226.08675142	153.0
[M]-	226.08784858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe