CID 25221579

151391-69-4

Structural Information

Molecular Formula
C22H39NO
SMILES
CCCCC/C=C\CCCCCC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C22H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h8-9,16-19,21H,4-7,10-15,20H2,1-3H3,(H,23,24)/b9-8-,17-16+,19-18+
InChIKey
PCWWIOUZYOPZHT-VBUSEHTESA-N
Compound name
(2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

333.30316 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.31044 193.5
[M+Na]+ 356.29238 199.6
[M+NH4]+ 351.33698 197.8
[M+K]+ 372.26632 190.9
[M-H]- 332.29588 191.7
[M+Na-2H]- 354.27783 192.4
[M]+ 333.30261 193.3
[M]- 333.30371 193.3
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