PubChemLite - 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]+	391.24791	199.8
[M+Na]+	413.22985	205.7
[M+NH4]+	408.27445	203.2
[M+K]+	429.20379	202.6
[M-H]-	389.23335	198.7
[M+Na-2H]-	411.21530	199.1
[M]+	390.24008	199.6
[M]-	390.24118	199.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

391.24791

199.8

[M+Na]+

413.22985

205.7

[M+NH4]+

408.27445

203.2

[M+K]+

429.20379

202.6

[M-H]-

389.23335

198.7

[M+Na-2H]-

411.21530

199.1

[M]+

390.24008

199.6

[M]-

390.24118

199.6

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