CID 86573562

(2e,4e,14z)-6-hydroxy-n-isobutyl-icosa-2,4,14-trienamide

Structural Information

Molecular Formula
C24H43NO2
SMILES
CCCCC/C=C\CCCCCCCC(/C=C/C=C/C(=O)NCC(C)C)O
InChI
InChI=1S/C24H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-23(26)19-16-17-20-24(27)25-21-22(2)3/h8-9,16-17,19-20,22-23,26H,4-7,10-15,18,21H2,1-3H3,(H,25,27)/b9-8-,19-16+,20-17+
InChIKey
QMKLFORNOMOASV-OBVGHXCDSA-N
Compound name
(2E,4E,14Z)-6-hydroxy-N-(2-methylpropyl)icosa-2,4,14-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.32938 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.33666 206.9
[M+Na]+ 400.31860 206.1
[M-H]- 376.32210 202.8
[M+NH4]+ 395.36320 218.0
[M+K]+ 416.29254 200.3
[M+H-H2O]+ 360.32664 199.3
[M+HCOO]- 422.32758 222.6
[M+CH3COO]- 436.34323 223.7
[M+Na-2H]- 398.30405 200.5
[M]+ 377.32883 210.0
[M]- 377.32993 210.0
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

No patent data available for this compound.