CID 105621

67799-04-6

Structural Information

Molecular Formula

C₂₃H₄₈N₂O

SMILES

CC(C)CCCCCCCCCCCCCCC(=O)NCCCN(C)C

InChI

InChI=1S/C23H48N2O/c1-22(2)18-15-13-11-9-7-5-6-8-10-12-14-16-19-23(26)24-20-17-21-25(3)4/h22H,5-21H2,1-4H3,(H,24,26)

InChIKey

NZXVYLJKFYSEPO-UHFFFAOYSA-N

Compound name

N-[3-(dimethylamino)propyl]-16-methylheptadecanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3870
Patents: 368.37668 Da
Monoisotopic Mass: 8.1
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]+	369.38396	203.7
[M+Na]+	391.36590	208.3
[M+NH4]+	386.41050	208.3
[M+K]+	407.33984	200.7
[M-H]-	367.36940	203.2
[M+Na-2H]-	389.35135	202.7
[M]+	368.37613	203.7
[M]-	368.37723	203.7

Literature stripe

literature stripe

Patent stripe

patents stripe