PubChemLite - 58451-87-9 (C35H39NO2)

Structural Information

Molecular Formula

SMILES

C1CC(NC(C1)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O)C(CC4=CC=CC=C4)(CC5=CC=CC=C5)O

InChI

InChI=1S/C35H39NO2/c37-34(24-28-14-5-1-6-15-28,25-29-16-7-2-8-17-29)32-22-13-23-33(36-32)35(38,26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-12,14-21,32-33,36-38H,13,22-27H2

InChIKey

CMEAGPOJDJVIAH-UHFFFAOYSA-N

Compound name

2-[6-(2-hydroxy-1,3-diphenylpropan-2-yl)piperidin-2-yl]-1,3-diphenylpropan-2-ol

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]+	506.30535	224.3
[M+Na]+	528.28729	222.0
[M-H]-	504.29079	230.9
[M+NH4]+	523.33189	224.6
[M+K]+	544.26123	212.8
[M+H-H2O]+	488.29533	211.1
[M+HCOO]-	550.29627	231.6
[M+CH3COO]-	564.31192	226.7
[M+Na-2H]-	526.27274	225.7
[M]+	505.29752	214.7
[M]-	505.29862	214.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

506.30535

224.3

[M+Na]+

528.28729

222.0

[M-H]-

504.29079

230.9

[M+NH4]+

523.33189

224.6

[M+K]+

544.26123

212.8

[M+H-H2O]+

488.29533

211.1

[M+HCOO]-

550.29627

231.6

[M+CH3COO]-

564.31192

226.7

[M+Na-2H]-

526.27274

225.7

[M]+

505.29752

214.7

[M]-

505.29862

214.7

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

58451-87-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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