PubChemLite - Latanoprost (C26H40O5)

Structural Information

Molecular Formula

SMILES

CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O

InChI

InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1

InChIKey

GGXICVAJURFBLW-CEYXHVGTSA-N

Compound name

propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	433.29485	212.0
[M+Na]+	455.27679	217.5
[M+NH4]+	450.32139	215.2
[M+K]+	471.25073	214.3
[M-H]-	431.28029	211.1
[M+Na-2H]-	453.26224	210.9
[M]+	432.28702	211.9
[M]-	432.28812	211.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.29485

212.0

[M+Na]+

455.27679

217.5

[M+NH4]+

450.32139

215.2

[M+K]+

471.25073

214.3

[M-H]-

431.28029

211.1

[M+Na-2H]-

453.26224

210.9

[M]+

432.28702

211.9

[M]-

432.28812

211.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Latanoprost

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe