CID 16061148

19,20-dihdpa

Structural Information

Molecular Formula
C22H34O4
SMILES
CCC(C(C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)O)O
InChI
InChI=1S/C22H34O4/c1-2-20(23)21(24)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(25)26/h3-4,7-10,13-16,20-21,23-24H,2,5-6,11-12,17-19H2,1H3,(H,25,26)/b4-3-,9-7-,10-8-,15-13-,16-14-
InChIKey
FFXKPSNQCPNORO-MBYQGORISA-N
Compound name
(4Z,7Z,10Z,13Z,16Z)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

96
Patents

362.2457 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25298 197.0
[M+Na]+ 385.23492 197.7
[M-H]- 361.23842 190.5
[M+NH4]+ 380.27952 191.4
[M+K]+ 401.20886 190.5
[M+H-H2O]+ 345.24296 190.5
[M+HCOO]- 407.24390 200.3
[M+CH3COO]- 421.25955 209.6
[M+Na-2H]- 383.22037 190.6
[M]+ 362.24515 197.8
[M]- 362.24625 197.8
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