CID 124202381

Resolvin t2

Structural Information

Molecular Formula
C22H34O5
SMILES
CC/C=C\C/C=C\C=C\C(C(/C=C/C=C\C(CCCCCC(=O)O)O)O)O
InChI
InChI=1S/C22H34O5/c1-2-3-4-5-6-7-10-16-20(24)21(25)17-13-12-15-19(23)14-9-8-11-18-22(26)27/h3-4,6-7,10,12-13,15-17,19-21,23-25H,2,5,8-9,11,14,18H2,1H3,(H,26,27)/b4-3-,7-6-,15-12-,16-10+,17-13+
InChIKey
XFIHWRRFJFILNC-FFAJSMOKSA-N
Compound name
(8Z,10E,14E,16Z,19Z)-7,12,13-trihydroxydocosa-8,10,14,16,19-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

378.24063 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.24791 200.2
[M+Na]+ 401.22985 200.0
[M-H]- 377.23335 192.2
[M+NH4]+ 396.27445 192.4
[M+K]+ 417.20379 193.2
[M+H-H2O]+ 361.23789 193.7
[M+HCOO]- 423.23883 197.3
[M+CH3COO]- 437.25448 210.3
[M+Na-2H]- 399.21530 192.1
[M]+ 378.24008 199.8
[M]- 378.24118 199.8
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

patents stripe