PubChemLite - Chembl104816 (C25H30ClN3O2)

Structural Information

Molecular Formula

SMILES

C[C@@H]1C(=O)N(C(=O)N1)CC(CCN2CCC(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H30ClN3O2/c1-18-24(30)29(25(31)27-18)17-22(21-8-5-9-23(26)16-21)12-15-28-13-10-20(11-14-28)19-6-3-2-4-7-19/h2-9,16,18,20,22H,10-15,17H2,1H3,(H,27,31)/t18-,22?/m1/s1

InChIKey

RYWMKHFUOARCRL-ZZWBGTBQSA-N

Compound name

(5R)-3-[2-(3-chlorophenyl)-4-(4-phenylpiperidin-1-yl)butyl]-5-methylimidazolidine-2,4-dione

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]+	440.20995	210.0
[M+Na]+	462.19189	213.7
[M-H]-	438.19539	215.7
[M+NH4]+	457.23649	216.1
[M+K]+	478.16583	205.1
[M+H-H2O]+	422.19993	197.8
[M+HCOO]-	484.20087	216.1
[M+CH3COO]-	498.21652	215.5
[M+Na-2H]-	460.17734	203.1
[M]+	439.20212	205.7
[M]-	439.20322	205.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.20995

210.0

[M+Na]+

462.19189

213.7

[M-H]-

438.19539

215.7

[M+NH4]+

457.23649

216.1

[M+K]+

478.16583

205.1

[M+H-H2O]+

422.19993

197.8

[M+HCOO]-

484.20087

216.1

[M+CH3COO]-

498.21652

215.5

[M+Na-2H]-

460.17734

203.1

[M]+

439.20212

205.7

[M]-

439.20322

205.7

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

Chembl104816

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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