CID 10338645

2,4,14-eicosatrienoic acid isobutylamide

Structural Information

Molecular Formula
C24H43NO
SMILES
CCCCC/C=C\CCCCCCCC/C=C/C=C/C(=O)NCC(C)C
InChI
InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23(2)3/h8-9,18-21,23H,4-7,10-17,22H2,1-3H3,(H,25,26)/b9-8-,19-18+,21-20+
InChIKey
GQCWFFNZERNJJC-SEXMCKGYSA-N
Compound name
(2E,4E,14Z)-N-(2-methylpropyl)icosa-2,4,14-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

19
Patents

361.33447 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.34175 203.0
[M+Na]+ 384.32369 203.0
[M-H]- 360.32719 200.3
[M+NH4]+ 379.36829 215.6
[M+K]+ 400.29763 197.0
[M+H-H2O]+ 344.33173 195.3
[M+HCOO]- 406.33267 221.0
[M+CH3COO]- 420.34832 223.6
[M+Na-2H]- 382.30914 198.3
[M]+ 361.33392 207.3
[M]- 361.33502 207.3
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