CID 132282526

7(s),14(s)-dihpdha

Structural Information

Molecular Formula
C22H32O6
SMILES
CC/C=C\C/C=C\C[C@@H](/C=C/C=C\C=C\[C@H](C/C=C\CCC(=O)O)OO)OO
InChI
InChI=1S/C22H32O6/c1-2-3-4-5-6-10-15-20(27-25)16-11-7-8-12-17-21(28-26)18-13-9-14-19-22(23)24/h3-4,6-13,16-17,20-21,25-26H,2,5,14-15,18-19H2,1H3,(H,23,24)/b4-3-,8-7-,10-6-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
InChIKey
LWOCSKALTQGXLZ-VDBKHXQVSA-N
Compound name
(4Z,7S,8E,10Z,12E,14S,16Z,19Z)-7,14-dihydroperoxydocosa-4,8,10,12,16,19-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

392.21988 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22716 200.0
[M+Na]+ 415.20910 200.7
[M-H]- 391.21260 191.3
[M+NH4]+ 410.25370 196.6
[M+K]+ 431.18304 194.2
[M+H-H2O]+ 375.21714 193.1
[M+HCOO]- 437.21808 204.6
[M+CH3COO]- 451.23373 212.3
[M+Na-2H]- 413.19455 194.0
[M]+ 392.21933 193.3
[M]- 392.22043 193.3
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.