CID 5283464

Chembl121681

Structural Information

Molecular Formula
C25H43NO2
SMILES
CCCCC(C)(C)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C25H43NO2/c1-4-5-20-25(2,3)21-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24(28)26-22-23-27/h6-7,10-13,16,18,27H,4-5,8-9,14-15,17,19-23H2,1-3H3,(H,26,28)/b7-6-,12-10-,13-11-,18-16-
InChIKey
SHINZUYKJSHICY-RYSLWBTDSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-17,17-dimethylhenicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

389.32938 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.33666 208.1
[M+Na]+ 412.31860 208.1
[M-H]- 388.32210 204.0
[M+NH4]+ 407.36320 209.0
[M+K]+ 428.29254 200.9
[M+H-H2O]+ 372.32664 200.9
[M+HCOO]- 434.32758 222.6
[M+CH3COO]- 448.34323 224.0
[M+Na-2H]- 410.30405 204.7
[M]+ 389.32883 211.7
[M]- 389.32993 211.7
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