CID 6917916

Flunoprost

Structural Information

Molecular Formula
C22H29FO5
SMILES
C1[C@H]([C@@H]([C@H]([C@@H]1F)C/C=C\CCCC(=O)O)/C=C/[C@H](COC2=CC=CC=C2)O)O
InChI
InChI=1S/C22H29FO5/c23-20-14-21(25)19(18(20)10-6-1-2-7-11-22(26)27)13-12-16(24)15-28-17-8-4-3-5-9-17/h1,3-6,8-9,12-13,16,18-21,24-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20-,21-/m1/s1
InChIKey
KDVWQPQZDKHFOC-PTRXCMEYSA-N
Compound name
(Z)-7-[(1R,2R,3R,5R)-5-fluoro-3-hydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

93
Patents

392.1999 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20718 196.4
[M+Na]+ 415.18912 198.6
[M-H]- 391.19262 196.2
[M+NH4]+ 410.23372 207.0
[M+K]+ 431.16306 192.8
[M+H-H2O]+ 375.19716 188.3
[M+HCOO]- 437.19810 209.8
[M+CH3COO]- 451.21375 213.8
[M+Na-2H]- 413.17457 189.7
[M]+ 392.19935 194.3
[M]- 392.20045 194.3
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.