CID 5283399

Chembl158544

Structural Information

Molecular Formula
C25H43NO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC(C)C
InChI
InChI=1S/C25H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)26-23-22-24(2)3/h8-9,11-12,14-15,17-18,24H,4-7,10,13,16,19-23H2,1-3H3,(H,26,27)/b9-8-,12-11-,15-14-,18-17-
InChIKey
HKYAUSBRNXNKIW-GKFVBPDJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(3-methylbutyl)icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

373.33447 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.34175 205.8
[M+Na]+ 396.32369 205.7
[M-H]- 372.32719 202.9
[M+NH4]+ 391.36829 217.9
[M+K]+ 412.29763 198.9
[M+H-H2O]+ 356.33173 198.0
[M+HCOO]- 418.33267 223.7
[M+CH3COO]- 432.34832 225.1
[M+Na-2H]- 394.30914 200.7
[M]+ 373.33392 209.7
[M]- 373.33502 209.7
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

patents stripe