PubChemLite - Chembl4159307 (C32H31ClN2O2)

Structural Information

Molecular Formula

SMILES

CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Cl)OC)O

InChI

InChI=1S/C32H31ClN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3

InChIKey

QXAFIHWGLLEDCY-UHFFFAOYSA-N

Compound name

1-(6-chloro-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-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]+	511.21468	227.7
[M+Na]+	533.19662	233.4
[M-H]-	509.20012	236.4
[M+NH4]+	528.24122	234.1
[M+K]+	549.17056	225.9
[M+H-H2O]+	493.20466	215.2
[M+HCOO]-	555.20560	238.9
[M+CH3COO]-	569.22125	234.1
[M+Na-2H]-	531.18207	231.3
[M]+	510.20685	233.3
[M]-	510.20795	233.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.21468

227.7

[M+Na]+

533.19662

233.4

[M-H]-

509.20012

236.4

[M+NH4]+

528.24122

234.1

[M+K]+

549.17056

225.9

[M+H-H2O]+

493.20466

215.2

[M+HCOO]-

555.20560

238.9

[M+CH3COO]-

569.22125

234.1

[M+Na-2H]-

531.18207

231.3

[M]+

510.20685

233.3

[M]-

510.20795

233.3

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

Chembl4159307

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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