CID 27078

Benzoic acid, p-amino-, 2-(dipentylamino)ethyl ester, hydrochloride

Structural Information

Molecular Formula

C₁₉H₃₂N₂O₂

SMILES

CCCCCN(CCCCC)CCOC(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C19H32N2O2/c1-3-5-7-13-21(14-8-6-4-2)15-16-23-19(22)17-9-11-18(20)12-10-17/h9-12H,3-8,13-16,20H2,1-2H3

InChIKey

ODIGWKFDGJKIHJ-UHFFFAOYSA-N

Compound name

2-(dipentylamino)ethyl 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.24637 Da
Monoisotopic Mass: 4.8
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]+	321.253646	184.1
[M+Na]+	343.235588	186.5
[M-H]-	319.239094	186.9
[M+NH4]+	338.280193	198.2
[M+K]+	359.209528	184.1
[M+H-H2O]+	303.243630	175.4
[M+HCOO]-	365.244571	206.8
[M+CH3COO]-	379.260221	218.5
[M+Na-2H]-	341.221036	183.6
[M]+	320.24582142	188.1
[M]-	320.24691858	188.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.