CID 71765531

N-(3-methoxybenzyl)palmitamide

Structural Information

Molecular Formula
C24H41NO2
SMILES
CCCCCCCCCCCCCCCC(=O)NCC1=CC(=CC=C1)OC
InChI
InChI=1S/C24H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(26)25-21-22-17-16-18-23(20-22)27-2/h16-18,20H,3-15,19,21H2,1-2H3,(H,25,26)
InChIKey
FIQGQTITXPTKIY-UHFFFAOYSA-N
Compound name
N-[(3-methoxyphenyl)methyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

9
Patents

375.31372 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.32100 201.9
[M+Na]+ 398.30294 202.8
[M-H]- 374.30644 202.8
[M+NH4]+ 393.34754 213.6
[M+K]+ 414.27688 198.1
[M+H-H2O]+ 358.31098 192.8
[M+HCOO]- 420.31192 221.9
[M+CH3COO]- 434.32757 225.6
[M+Na-2H]- 396.28839 200.2
[M]+ 375.31317 208.2
[M]- 375.31427 208.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe