CID 6917757

Trimoprostil

Structural Information

Molecular Formula
C23H38O4
SMILES
CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)C)O
InChI
InChI=1S/C23H38O4/c1-5-6-15-23(3,4)21(25)14-13-18-17(2)16-20(24)19(18)11-9-7-8-10-12-22(26)27/h7,9,13-14,17-19,21,25H,5-6,8,10-12,15-16H2,1-4H3,(H,26,27)/b9-7-,14-13+/t17-,18+,19-,21-/m1/s1
InChIKey
OOAHNJDZICJECC-BHWPLRMJSA-N
Compound name
(Z)-7-[(1R,2R,3R)-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-3-methyl-5-oxocyclopentyl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

29
References

1103
Patents

378.277 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28428 198.3
[M+Na]+ 401.26622 202.7
[M+NH4]+ 396.31082 201.1
[M+K]+ 417.24016 200.0
[M-H]- 377.26972 194.7
[M+Na-2H]- 399.25167 195.0
[M]+ 378.27645 197.3
[M]- 378.27755 197.3
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