PubChemLite - Gsk2850163 (C24H29Cl2N3O)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H29Cl2N3O/c1-18-3-5-19(6-4-18)14-27-23(30)29-11-2-9-24(17-29)10-12-28(16-24)15-20-7-8-21(25)22(26)13-20/h3-8,13H,2,9-12,14-17H2,1H3,(H,27,30)/t24-/m1/s1

InChIKey

YFDASBFQKMHSSJ-XMMPIXPASA-N

Compound name

(5R)-2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

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]+	446.17604	209.3
[M+Na]+	468.15798	214.5
[M-H]-	444.16148	216.1
[M+NH4]+	463.20258	220.3
[M+K]+	484.13192	205.9
[M+H-H2O]+	428.16602	198.3
[M+HCOO]-	490.16696	214.5
[M+CH3COO]-	504.18261	215.8
[M+Na-2H]-	466.14343	205.5
[M]+	445.16821	206.7
[M]-	445.16931	206.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

446.17604

209.3

[M+Na]+

468.15798

214.5

[M-H]-

444.16148

216.1

[M+NH4]+

463.20258

220.3

[M+K]+

484.13192

205.9

[M+H-H2O]+

428.16602

198.3

[M+HCOO]-

490.16696

214.5

[M+CH3COO]-

504.18261

215.8

[M+Na-2H]-

466.14343

205.5

[M]+

445.16821

206.7

[M]-

445.16931

206.7

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

Gsk2850163

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe