CID 53477459

10,11-dihydro-resolvin e1

Structural Information

Molecular Formula
C20H32O5
SMILES
CC[C@@H](/C=C/C=C\CC(CC/C=C/C=C\[C@H](CCCC(=O)O)O)O)O
InChI
InChI=1S/C20H32O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-5,7-9,11,13,17-19,21-23H,2,6,10,12,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,13-7-/t17-,18?,19+/m0/s1
InChIKey
KOYKAOBHYIJNTF-ZWLIVBFSSA-N
Compound name
(5S,6Z,8E,14Z,16E,18S)-5,12,18-trihydroxyicosa-6,8,14,16-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.22498 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.23226 192.9
[M+Na]+ 375.21420 193.2
[M-H]- 351.21770 185.3
[M+NH4]+ 370.25880 187.2
[M+K]+ 391.18814 187.5
[M+H-H2O]+ 335.22224 186.7
[M+HCOO]- 397.22318 192.2
[M+CH3COO]- 411.23883 205.8
[M+Na-2H]- 373.19965 185.7
[M]+ 352.22443 192.5
[M]- 352.22553 192.5
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.