CID 5283412

Chembl158367

Structural Information

Molecular Formula
C25H43NO2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(CCC)CCO
InChI
InChI=1S/C25H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)26(22-4-2)23-24-27/h8-9,11-12,14-15,17-18,27H,3-7,10,13,16,19-24H2,1-2H3/b9-8-,12-11-,15-14-,18-17-
InChIKey
AMQKYUDWPCUALW-GKFVBPDJSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-propylicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

389.32938 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.33666 208.7
[M+Na]+ 412.31860 208.6
[M-H]- 388.32210 205.8
[M+NH4]+ 407.36320 216.5
[M+K]+ 428.29254 202.2
[M+H-H2O]+ 372.32664 200.7
[M+HCOO]- 434.32758 226.0
[M+CH3COO]- 448.34323 227.0
[M+Na-2H]- 410.30405 203.6
[M]+ 389.32883 214.1
[M]- 389.32993 214.1
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