CID 90020922

N-[3-(benzoyloxy)-1-methylbutyl]-n-methylbenzamide

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

CC(CC(C)OC(=O)C1=CC=CC=C1)N(C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H23NO3/c1-15(21(3)19(22)17-10-6-4-7-11-17)14-16(2)24-20(23)18-12-8-5-9-13-18/h4-13,15-16H,14H2,1-3H3

InChIKey

GNWGSBJQAXZWQZ-UHFFFAOYSA-N

Compound name

4-[benzoyl(methyl)amino]pentan-2-yl benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 205
Patents: 325.1678 Da
Monoisotopic Mass: 4.2
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]+	326.175076	179.9
[M+Na]+	348.157018	182.4
[M-H]-	324.160524	186.8
[M+NH4]+	343.201623	193.2
[M+K]+	364.130958	181.2
[M+H-H2O]+	308.165060	170.9
[M+HCOO]-	370.166001	200.7
[M+CH3COO]-	384.181651	214.9
[M+Na-2H]-	346.142466	179.5
[M]+	325.16725142	181.8
[M]-	325.16834858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe