CID 59307

N-(3,4-dimethylbenzyl)dodecanamide

Structural Information

Molecular Formula

C₂₁H₃₅NO

SMILES

CCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C21H35NO/c1-4-5-6-7-8-9-10-11-12-13-21(23)22-17-20-15-14-18(2)19(3)16-20/h14-16H,4-13,17H2,1-3H3,(H,22,23)

InChIKey

ZVPBVGLFEPZQCG-UHFFFAOYSA-N

Compound name

N-[(3,4-dimethylphenyl)methyl]dodecanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 317.27185 Da
Monoisotopic Mass: 6.9
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]+	318.279126	185.0
[M+Na]+	340.261068	188.3
[M-H]-	316.264574	187.1
[M+NH4]+	335.305673	199.7
[M+K]+	356.235008	183.8
[M+H-H2O]+	300.269110	177.1
[M+HCOO]-	362.270051	205.9
[M+CH3COO]-	376.285701	216.0
[M+Na-2H]-	338.246516	184.3
[M]+	317.27130142	189.3
[M]-	317.27239858	189.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.