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
1
Annotation Hits

0
References

86
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 199.4
[M+Na]+ 415.18912 205.1
[M+NH4]+ 410.23372 202.3
[M+K]+ 431.16306 201.8
[M-H]- 391.19262 197.0
[M+Na-2H]- 413.17457 198.5
[M]+ 392.19935 198.8
[M]- 392.20045 198.8
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