CID 5280363

Dinoprost

Structural Information

Molecular Formula
C20H34O5
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O
InChI
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey
PXGPLTODNUVGFL-YNNPMVKQSA-N
Compound name
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

12323
References

9876
Patents

354.24063 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.24791 191.9
[M+Na]+ 377.22985 193.4
[M-H]- 353.23335 188.1
[M+NH4]+ 372.27445 203.9
[M+K]+ 393.20379 188.0
[M+H-H2O]+ 337.23789 186.1
[M+HCOO]- 399.23883 203.9
[M+CH3COO]- 413.25448 207.1
[M+Na-2H]- 375.21530 184.1
[M]+ 354.24008 190.8
[M]- 354.24118 190.8
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