CID 131840491

Ent-10-d4t-neurop

Structural Information

Molecular Formula
C22H32O5
SMILES
CC/C=C\C[C@H]1[C@H]([C@@H](CC1=O)O)/C=C/[C@@H](C/C=C\C/C=C\CCC(=O)O)O
InChI
InChI=1S/C22H32O5/c1-2-3-8-12-18-19(21(25)16-20(18)24)15-14-17(23)11-9-6-4-5-7-10-13-22(26)27/h3,5-9,14-15,17-19,21,23,25H,2,4,10-13,16H2,1H3,(H,26,27)/b7-5-,8-3-,9-6-,15-14+/t17-,18+,19-,21-/m1/s1
InChIKey
HKRPDTDZWZZKNW-OCEHKIMWSA-N
Compound name
(4Z,7Z,10R,11E)-10-hydroxy-12-[(1R,2S,5R)-5-hydroxy-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]dodeca-4,7,11-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.22498 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.23226 196.3
[M+Na]+ 399.21420 198.5
[M-H]- 375.21770 193.7
[M+NH4]+ 394.25880 208.0
[M+K]+ 415.18814 191.5
[M+H-H2O]+ 359.22224 190.3
[M+HCOO]- 421.22318 209.9
[M+CH3COO]- 435.23883 211.8
[M+Na-2H]- 397.19965 188.1
[M]+ 376.22443 195.5
[M]- 376.22553 195.5
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.