PubChemLite - 3-quinolineethanol, .alpha.-[2-(dimethylamino)ethyl]-2-methoxy-.alpha.,.beta.,6-triphenyl- (C34H34N2O2)

Structural Information

Molecular Formula

SMILES

CN(C)CCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)C5=CC=CC=C5)OC)O

InChI

InChI=1S/C34H34N2O2/c1-36(2)22-21-34(37,29-17-11-6-12-18-29)32(26-15-9-5-10-16-26)30-24-28-23-27(25-13-7-4-8-14-25)19-20-31(28)35-33(30)38-3/h4-20,23-24,32,37H,21-22H2,1-3H3

InChIKey

ZJSOMMZDMFCTPP-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-1-(2-methoxy-6-phenylquinolin-3-yl)-1,2-diphenylbutan-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]+	503.26930	227.7
[M+Na]+	525.25124	229.7
[M-H]-	501.25474	237.8
[M+NH4]+	520.29584	231.6
[M+K]+	541.22518	223.2
[M+H-H2O]+	485.25928	213.8
[M+HCOO]-	547.26022	242.7
[M+CH3COO]-	561.27587	233.1
[M+Na-2H]-	523.23669	229.9
[M]+	502.26147	227.8
[M]-	502.26257	227.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.26930

227.7

[M+Na]+

525.25124

229.7

[M-H]-

501.25474

237.8

[M+NH4]+

520.29584

231.6

[M+K]+

541.22518

223.2

[M+H-H2O]+

485.25928

213.8

[M+HCOO]-

547.26022

242.7

[M+CH3COO]-

561.27587

233.1

[M+Na-2H]-

523.23669

229.9

[M]+

502.26147

227.8

[M]-

502.26257

227.8

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

3-quinolineethanol, .alpha.-[2-(dimethylamino)ethyl]-2-methoxy-.alpha.,.beta.,6-triphenyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe