CID 155618148

(9z,12z,15z)-n-(2-phenylethyl)octadeca-9,12,15-trienamide

Structural Information

Molecular Formula
C26H39NO
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCC1=CC=CC=C1
InChI
InChI=1S/C26H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(28)27-24-23-25-20-17-16-18-21-25/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-
InChIKey
NUUWMADFOQFENP-PDBXOOCHSA-N
Compound name
(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

381.30316 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.31044 204.1
[M+Na]+ 404.29238 204.5
[M-H]- 380.29588 204.5
[M+NH4]+ 399.33698 215.4
[M+K]+ 420.26632 196.9
[M+H-H2O]+ 364.30042 195.0
[M+HCOO]- 426.30136 224.0
[M+CH3COO]- 440.31701 224.2
[M+Na-2H]- 402.27783 202.2
[M]+ 381.30261 207.1
[M]- 381.30371 207.1
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

patents stripe