PubChemLite - 169032-19-3 (C32H38N2O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C#N)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

InChI

InChI=1S/C32H38N2O2/c1-31(2,24-33)26-17-15-25(16-18-26)30(35)14-9-21-34-22-19-29(20-23-34)32(36,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-13,15-18,29-30,35-36H,9,14,19-23H2,1-2H3

InChIKey

ULSHYESKBGFQFC-UHFFFAOYSA-N

Compound name

2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanenitrile

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]+	483.30061	228.4
[M+Na]+	505.28255	230.8
[M-H]-	481.28605	231.8
[M+NH4]+	500.32715	230.6
[M+K]+	521.25649	220.7
[M+H-H2O]+	465.29059	210.7
[M+HCOO]-	527.29153	233.7
[M+CH3COO]-	541.30718	241.7
[M+Na-2H]-	503.26800	226.3
[M]+	482.29278	217.2
[M]-	482.29388	217.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.30061

228.4

[M+Na]+

505.28255

230.8

[M-H]-

481.28605

231.8

[M+NH4]+

500.32715

230.6

[M+K]+

521.25649

220.7

[M+H-H2O]+

465.29059

210.7

[M+HCOO]-

527.29153

233.7

[M+CH3COO]-

541.30718

241.7

[M+Na-2H]-

503.26800

226.3

[M]+

482.29278

217.2

[M]-

482.29388

217.2

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

169032-19-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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