CID 16061120

17,18-dihete

Structural Information

Molecular Formula
C20H32O4
SMILES
CCC(C(C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O)O
InChI
InChI=1S/C20H32O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)24/h3,5-6,8-9,11-12,14,18-19,21-22H,2,4,7,10,13,15-17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-,14-12-
InChIKey
XYDVGNAQQFWZEF-JPURVOHMSA-N
Compound name
(5Z,8Z,11Z,14Z)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

46
Patents

336.23007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.23735 189.8
[M+Na]+ 359.21929 190.9
[M-H]- 335.22279 183.6
[M+NH4]+ 354.26389 201.2
[M+K]+ 375.19323 184.8
[M+H-H2O]+ 319.22733 183.5
[M+HCOO]- 381.22827 203.5
[M+CH3COO]- 395.24392 205.1
[M+Na-2H]- 357.20474 184.3
[M]+ 336.22952 190.6
[M]- 336.23062 190.6
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