CID 71981

Oxoprostol

Structural Information

Molecular Formula
C22H32O4
SMILES
C1CC(=O)[C@@H]([C@H]1CCC(=O)COC2=CC=CC=C2)CCCCCCCO
InChI
InChI=1S/C22H32O4/c23-16-8-3-1-2-7-11-21-18(13-15-22(21)25)12-14-19(24)17-26-20-9-5-4-6-10-20/h4-6,9-10,18,21,23H,1-3,7-8,11-17H2/t18-,21+/m0/s1
InChIKey
CQGDJYVHVNYIMQ-GHTZIAJQSA-N
Compound name
trans-(2R,3R)-2-(7-hydroxyheptyl)-3-(3-oxo-4-phenoxybutyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

360.23007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.237346 191.7
[M+Na]+ 383.219288 193.9
[M-H]- 359.222794 195.1
[M+NH4]+ 378.263893 205.0
[M+K]+ 399.193228 189.4
[M+H-H2O]+ 343.227330 183.7
[M+HCOO]- 405.228271 209.8
[M+CH3COO]- 419.243921 213.6
[M+Na-2H]- 381.204736 188.1
[M]+ 360.22952142 194.0
[M]- 360.23061858 194.0
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.