PubChemLite - Dihydroxypropyl didehydrolatanoprostamide (C26H37NO6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H37NO6/c28-17-20(18-29)27-26(33)11-7-2-1-6-10-22-23(25(32)16-24(22)31)15-14-21(30)13-12-19-8-4-3-5-9-19/h1,3-6,8-9,14-15,20-23,25,28-30,32H,2,7,10-13,16-18H2,(H,27,33)/b6-1-,15-14+/t21-,22+,23?,25+/m0/s1

InChIKey

NYRITJWASKBGOC-YNIOAQSFSA-N

Compound name

(Z)-N-(1,3-dihydroxypropan-2-yl)-7-[(1R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enamide

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]+	460.26938	215.4
[M+Na]+	482.25132	214.1
[M-H]-	458.25482	214.4
[M+NH4]+	477.29592	221.9
[M+K]+	498.22526	208.2
[M+H-H2O]+	442.25936	207.4
[M+HCOO]-	504.26030	227.3
[M+CH3COO]-	518.27595	228.1
[M+Na-2H]-	480.23677	206.7
[M]+	459.26155	213.1
[M]-	459.26265	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

460.26938

215.4

[M+Na]+

482.25132

214.1

[M-H]-

458.25482

214.4

[M+NH4]+

477.29592

221.9

[M+K]+

498.22526

208.2

[M+H-H2O]+

442.25936

207.4

[M+HCOO]-

504.26030

227.3

[M+CH3COO]-

518.27595

228.1

[M+Na-2H]-

480.23677

206.7

[M]+

459.26155

213.1

[M]-

459.26265

213.1

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

Dihydroxypropyl didehydrolatanoprostamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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