CID 52095

73664-81-0

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

COC1=CC=CC=C1C(=O)NCCN2CCCC2

InChI

InChI=1S/C14H20N2O2/c1-18-13-7-3-2-6-12(13)14(17)15-8-11-16-9-4-5-10-16/h2-3,6-7H,4-5,8-11H2,1H3,(H,15,17)

InChIKey

UNLPKXPUBAJCDD-UHFFFAOYSA-N

Compound name

2-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 248.15248 Da
Monoisotopic Mass: 1.5
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]+	249.15976	158.3
[M+Na]+	271.14170	162.7
[M-H]-	247.14520	162.8
[M+NH4]+	266.18630	175.2
[M+K]+	287.11564	160.2
[M+H-H2O]+	231.14974	150.0
[M+HCOO]-	293.15068	179.9
[M+CH3COO]-	307.16633	194.6
[M+Na-2H]-	269.12715	160.4
[M]+	248.15193	156.9
[M]-	248.15303	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe