CID 5283461

Chembl121203

Structural Information

Molecular Formula
C25H43NO2
SMILES
CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChI
InChI=1S/C25H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28)26-23-24-27/h9-10,12-13,15-16,18-19,27H,2-8,11,14,17,20-24H2,1H3,(H,26,28)/b10-9-,13-12-,16-15-,19-18-
InChIKey
PWFASAMMYCXTMG-SNPVRQPZSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)tricosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

389.32938 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.33666 207.7
[M+Na]+ 412.31860 207.2
[M-H]- 388.32210 203.2
[M+NH4]+ 407.36320 218.3
[M+K]+ 428.29254 199.6
[M+H-H2O]+ 372.32664 199.7
[M+HCOO]- 434.32758 225.3
[M+CH3COO]- 448.34323 223.7
[M+Na-2H]- 410.30405 203.4
[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