CID 171118581

17r,18r-dihydroxy-14r-methoxy-5z,8z,11z,15e-eicosatetraenoic acid

Structural Information

Molecular Formula
C21H34O5
SMILES
CC[C@H]([C@@H](/C=C/[C@@H](C/C=C\C/C=C\C/C=C\CCCC(=O)O)OC)O)O
InChI
InChI=1S/C21H34O5/c1-3-19(22)20(23)17-16-18(26-2)14-12-10-8-6-4-5-7-9-11-13-15-21(24)25/h4,6-7,9-10,12,16-20,22-23H,3,5,8,11,13-15H2,1-2H3,(H,24,25)/b6-4-,9-7-,12-10-,17-16+/t18-,19-,20-/m1/s1
InChIKey
PIFDTERTJHPZEL-BNZUYOTNSA-N
Compound name
(5Z,8Z,11Z,14R,15E,17R,18R)-17,18-dihydroxy-14-methoxyicosa-5,8,11,15-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.24063 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.24791 196.8
[M+Na]+ 389.22985 197.2
[M-H]- 365.23335 190.5
[M+NH4]+ 384.27445 193.9
[M+K]+ 405.20379 192.0
[M+H-H2O]+ 349.23789 190.3
[M+HCOO]- 411.23883 198.0
[M+CH3COO]- 425.25448 211.0
[M+Na-2H]- 387.21530 189.8
[M]+ 366.24008 198.8
[M]- 366.24118 198.8
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.