CID 5283105

Carboprost methyl

Structural Information

Molecular Formula
C22H38O5
SMILES
CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC)O)O)O
InChI
InChI=1S/C22H38O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h6,8,13,15,17-20,23-24,26H,4-5,7,9-12,14,16H2,1-3H3/b8-6-,15-13+/t17-,18-,19+,20-,22+/m1/s1
InChIKey
QQCOAAFKJZXJFP-XAYIDPIISA-N
Compound name
methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

382.2719 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.27918 198.3
[M+Na]+ 405.26112 202.2
[M+NH4]+ 400.30572 200.7
[M+K]+ 421.23506 199.8
[M-H]- 381.26462 194.1
[M+Na-2H]- 403.24657 194.5
[M]+ 382.27135 196.9
[M]- 382.27245 196.9
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

patents stripe