CID 5283400

Chembl159181

Structural Information

Molecular Formula
C25H43NO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)(C)CC
InChI
InChI=1S/C25H43NO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(27)26-25(3,4)6-2/h10-11,13-14,16-17,19-20H,5-9,12,15,18,21-23H2,1-4H3,(H,26,27)/b11-10-,14-13-,17-16-,20-19-
InChIKey
LWMKFJMMWYARBR-AILJCPQKSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-methylbutan-2-yl)icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.33447 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.34175 204.9
[M+Na]+ 396.32369 205.5
[M-H]- 372.32719 202.3
[M+NH4]+ 391.36829 217.2
[M+K]+ 412.29763 198.6
[M+H-H2O]+ 356.33173 197.7
[M+HCOO]- 418.33267 222.2
[M+CH3COO]- 432.34832 224.6
[M+Na-2H]- 394.30914 201.8
[M]+ 373.33392 209.0
[M]- 373.33502 209.0
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.