CID 101713141

N-isobutyl-2e,4z-octadecadienoyl amine

Structural Information

Molecular Formula
C22H41NO
SMILES
CCCCCCCCCCCCC/C=C\C=C\C(=O)NCC(C)C
InChI
InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)/b17-16-,19-18+
InChIKey
QQCGKIZHTJLRNN-JUJVUSMPSA-N
Compound name
(2E,4Z)-N-(2-methylpropyl)octadeca-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

94
Patents

335.31882 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.32610 195.8
[M+Na]+ 358.30804 196.2
[M-H]- 334.31154 193.3
[M+NH4]+ 353.35264 209.4
[M+K]+ 374.28198 191.3
[M+H-H2O]+ 318.31608 188.3
[M+HCOO]- 380.31702 214.2
[M+CH3COO]- 394.33267 219.1
[M+Na-2H]- 356.29349 192.1
[M]+ 335.31827 200.1
[M]- 335.31937 200.1
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