CID 5283419

Chembl423602

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.33447 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.34175 205.2
[M+Na]+ 396.32369 205.6
[M-H]- 372.32719 202.7
[M+NH4]+ 391.36829 217.4
[M+K]+ 412.29763 199.2
[M+H-H2O]+ 356.33173 198.2
[M+HCOO]- 418.33267 221.6
[M+CH3COO]- 432.34832 225.3
[M+Na-2H]- 394.30914 200.9
[M]+ 373.33392 208.7
[M]- 373.33502 208.7
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.