CID 3073614

150988-83-3

Structural Information

Molecular Formula
C27H47NO3
SMILES
CCCCCCCCCC(C)CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C27H47NO3/c1-4-5-6-7-8-10-13-16-23(2)17-14-11-9-12-15-18-27(30)28-22-24-19-20-25(29)26(21-24)31-3/h19-21,23,29H,4-18,22H2,1-3H3,(H,28,30)
InChIKey
DVJVFQDCZQZGRP-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyloctadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.3556 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.36288 218.4
[M+Na]+ 456.34482 218.1
[M-H]- 432.34832 217.7
[M+NH4]+ 451.38942 227.2
[M+K]+ 472.31876 213.1
[M+H-H2O]+ 416.35286 209.2
[M+HCOO]- 478.35380 235.1
[M+CH3COO]- 492.36945 235.9
[M+Na-2H]- 454.33027 212.9
[M]+ 433.35505 225.1
[M]- 433.35615 225.1
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

No patent data available for this compound.