CID 16061184

11,12-dihetre-ea

Structural Information

Molecular Formula
C22H39NO4
SMILES
CCCCC/C=C\CC(C(C/C=C\C/C=C\CCCC(=O)NCCO)O)O
InChI
InChI=1S/C22H39NO4/c1-2-3-4-5-9-12-15-20(25)21(26)16-13-10-7-6-8-11-14-17-22(27)23-18-19-24/h6,8-10,12-13,20-21,24-26H,2-5,7,11,14-19H2,1H3,(H,23,27)/b8-6-,12-9-,13-10-
InChIKey
WYSZRDPBSSHJLF-KROJNAHFSA-N
Compound name
(5Z,8Z,14Z)-11,12-dihydroxy-N-(2-hydroxyethyl)icosa-5,8,14-trienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.2879 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.29518 203.4
[M+Na]+ 404.27712 202.3
[M-H]- 380.28062 196.6
[M+NH4]+ 399.32172 203.8
[M+K]+ 420.25106 196.5
[M+H-H2O]+ 364.28516 196.0
[M+HCOO]- 426.28610 210.5
[M+CH3COO]- 440.30175 217.0
[M+Na-2H]- 402.26257 197.2
[M]+ 381.28735 204.7
[M]- 381.28845 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.