CID 111471

68957-38-0

Structural Information

Molecular Formula

C₁₃H₁₉ClN₂O

SMILES

CCN(CC)C1=CC=CC(=C1)NC(=O)C(C)Cl

InChI

InChI=1S/C13H19ClN2O/c1-4-16(5-2)12-8-6-7-11(9-12)15-13(17)10(3)14/h6-10H,4-5H2,1-3H3,(H,15,17)

InChIKey

HHGPAQQRGYWABM-UHFFFAOYSA-N

Compound name

2-chloro-N-[3-(diethylamino)phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 254.11859 Da
Monoisotopic Mass: 3.0
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]+	255.12587	159.2
[M+Na]+	277.10781	170.0
[M+NH4]+	272.15241	167.1
[M+K]+	293.08175	163.6
[M-H]-	253.11131	162.1
[M+Na-2H]-	275.09326	165.0
[M]+	254.11804	161.7
[M]-	254.11914	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe