Latanoprost acid (C23H34O5)

Structural Information

Molecular Formula

SMILES

C1[C@H]([C@@H]([C@H]([C@H]1O)C/C=C\CCCC(=O)O)CC[C@H](CCC2=CC=CC=C2)O)O

InChI

InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1

InChIKey

HNPFPERDNWXAGS-NFVOFSAMSA-N

Compound name

(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid

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]+	391.247906	199.2
[M+Na]+	413.229848	200.1
[M-H]-	389.233354	198.7
[M+NH4]+	408.274453	209.2
[M+K]+	429.203788	194.3
[M+H-H2O]+	373.237890	192.0
[M+HCOO]-	435.238831	211.6
[M+CH3COO]-	449.254481	213.3
[M+Na-2H]-	411.215296	192.2
[M]+	390.24008142	197.5
[M]-	390.24117858	197.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

391.247906

199.2

[M+Na]+

413.229848

200.1

[M-H]-

389.233354

198.7

[M+NH4]+

408.274453

209.2

[M+K]+

429.203788

194.3

[M+H-H2O]+

373.237890

192.0

[M+HCOO]-

435.238831

211.6

[M+CH3COO]-

449.254481

213.3

[M+Na-2H]-

411.215296

192.2

[M]+

390.24008142

197.5

[M]-

390.24117858

197.5

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

Latanoprost acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe