CID 171120632

N-(3,4-dimethoxybenzyl)-9z-oleamide

Structural Information

Molecular Formula
C27H45NO3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C27H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(29)28-23-24-20-21-25(30-2)26(22-24)31-3/h11-12,20-22H,4-10,13-19,23H2,1-3H3,(H,28,29)/b12-11-
InChIKey
SHCXGMBOOJQZSX-QXMHVHEDSA-N
Compound name
(Z)-N-[(3,4-dimethoxyphenyl)methyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.33994 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.34722 216.4
[M+Na]+ 454.32916 217.2
[M-H]- 430.33266 217.2
[M+NH4]+ 449.37376 226.1
[M+K]+ 470.30310 211.9
[M+H-H2O]+ 414.33720 206.9
[M+HCOO]- 476.33814 235.9
[M+CH3COO]- 490.35379 236.2
[M+Na-2H]- 452.31461 212.7
[M]+ 431.33939 224.9
[M]- 431.34049 224.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.