CID 2332594

N-(3-(dimethylamino)propyl)benzamide

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CN(C)CCCNC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H18N2O/c1-14(2)10-6-9-13-12(15)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,13,15)

InChIKey

UKXSMVIDPJCDAQ-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 79
Patents: 206.1419 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]+	207.14918	149.0
[M+Na]+	229.13112	159.3
[M+NH4]+	224.17572	157.0
[M+K]+	245.10506	152.9
[M-H]-	205.13462	152.2
[M+Na-2H]-	227.11657	155.6
[M]+	206.14135	151.1
[M]-	206.14245	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe