CID 27092

Benzoic acid, p-amino-, 5-(diethylamino)pentyl ester, hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₆N₂O₂

SMILES

CCN(CC)CCCCCOC(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C16H26N2O2/c1-3-18(4-2)12-6-5-7-13-20-16(19)14-8-10-15(17)11-9-14/h8-11H,3-7,12-13,17H2,1-2H3

InChIKey

RRKODPPQHKCBBY-UHFFFAOYSA-N

Compound name

5-(diethylamino)pentyl 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.19943 Da
Monoisotopic Mass: 3.5
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]+	279.206706	170.4
[M+Na]+	301.188648	174.1
[M-H]-	277.192154	173.9
[M+NH4]+	296.233253	186.3
[M+K]+	317.162588	172.5
[M+H-H2O]+	261.196690	162.4
[M+HCOO]-	323.197631	194.2
[M+CH3COO]-	337.213281	209.6
[M+Na-2H]-	299.174096	171.6
[M]+	278.19888142	173.4
[M]-	278.19997858	173.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.