CID 5283410

Chembl139037

Structural Information

Molecular Formula
C23H39NO2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(C)CCO
InChI
InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24(2)21-22-25/h7-8,10-11,13-14,16-17,25H,3-6,9,12,15,18-22H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKey
DZOXWGMUPHVUCW-ZKWNWVNESA-N
Compound name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-N-methylicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

361.29807 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.30535 200.0
[M+Na]+ 384.28729 200.7
[M-H]- 360.29079 197.5
[M+NH4]+ 379.33189 212.5
[M+K]+ 400.26123 194.9
[M+H-H2O]+ 344.29533 192.4
[M+HCOO]- 406.29627 218.8
[M+CH3COO]- 420.31192 221.0
[M+Na-2H]- 382.27274 196.0
[M]+ 361.29752 204.6
[M]- 361.29862 204.6
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