CID 68742556

18286-71-0

Structural Information

Molecular Formula
C25H39NO
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C25H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h6-7,9-10,16-18,20-21H,2-5,8,11-15,19,22-23H2,1H3,(H,26,27)/b7-6-,10-9-
InChIKey
YJWLCIANOBCQGW-HZJYTTRNSA-N
Compound name
(9Z,12Z)-N-benzyloctadeca-9,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

32
Patents

369.30316 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.31044 201.0
[M+Na]+ 392.29238 201.4
[M-H]- 368.29588 201.5
[M+NH4]+ 387.33698 212.8
[M+K]+ 408.26632 194.6
[M+H-H2O]+ 352.30042 191.9
[M+HCOO]- 414.30136 221.0
[M+CH3COO]- 428.31701 222.6
[M+Na-2H]- 390.27783 199.6
[M]+ 369.30261 204.3
[M]- 369.30371 204.3
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