Cp-775146 (C26H33NO4)

Structural Information

Molecular Formula

SMILES

CC(C)C1=CC=C(C=C1)CC(=O)N2CCC[C@H](C2)C3=CC(=CC=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C26H33NO4/c1-18(2)20-12-10-19(11-13-20)15-24(28)27-14-6-8-22(17-27)21-7-5-9-23(16-21)31-26(3,4)25(29)30/h5,7,9-13,16,18,22H,6,8,14-15,17H2,1-4H3,(H,29,30)/t22-/m1/s1

InChIKey

OISHBINQIFNIPV-JOCHJYFZSA-N

Compound name

2-methyl-2-[3-[(3S)-1-[2-(4-propan-2-ylphenyl)acetyl]piperidin-3-yl]phenoxy]propanoic 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]+	424.248246	204.0
[M+Na]+	446.230188	205.3
[M-H]-	422.233694	209.3
[M+NH4]+	441.274793	210.9
[M+K]+	462.204128	201.6
[M+H-H2O]+	406.238230	194.0
[M+HCOO]-	468.239171	214.9
[M+CH3COO]-	482.254821	227.5
[M+Na-2H]-	444.215636	200.6
[M]+	423.24042142	202.0
[M]-	423.24151858	202.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

424.248246

204.0

[M+Na]+

446.230188

205.3

[M-H]-

422.233694

209.3

[M+NH4]+

441.274793

210.9

[M+K]+

462.204128

201.6

[M+H-H2O]+

406.238230

194.0

[M+HCOO]-

468.239171

214.9

[M+CH3COO]-

482.254821

227.5

[M+Na-2H]-

444.215636

200.6

[M]+

423.24042142

202.0

[M]-

423.24151858

202.0

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

Cp-775146

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe