CID 6439143

N-oleylhomovanillamide

Structural Information

Molecular Formula
C27H45NO3
SMILES
CCCCCCCC/C=C\CCCCCCCCNC(=O)CC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-27(30)23-24-19-20-25(29)26(22-24)31-2/h10-11,19-20,22,29H,3-9,12-18,21,23H2,1-2H3,(H,28,30)/b11-10-
InChIKey
PCZMUTQYZKAXBW-KHPPLWFESA-N
Compound name
2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

200
Patents

431.33994 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.34722 216.3
[M+Na]+ 454.32916 216.6
[M-H]- 430.33266 215.6
[M+NH4]+ 449.37376 225.2
[M+K]+ 470.30310 210.4
[M+H-H2O]+ 414.33720 207.0
[M+HCOO]- 476.33814 234.2
[M+CH3COO]- 490.35379 233.7
[M+Na-2H]- 452.31461 212.1
[M]+ 431.33939 222.8
[M]- 431.34049 222.8
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