PubChemLite - 4-(dimethylamino)-1-(2-methoxy-6-phenyl-3-quinolyl)-2-(1-naphthyl)-1-phenyl-butan-2-ol (C38H36N2O2)

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)C6=CC=CC=C6)OC)O

InChI

InChI=1S/C38H36N2O2/c1-40(2)24-23-38(41,34-20-12-18-28-15-10-11-19-32(28)34)36(29-16-8-5-9-17-29)33-26-31-25-30(27-13-6-4-7-14-27)21-22-35(31)39-37(33)42-3/h4-22,25-26,36,41H,23-24H2,1-3H3

InChIKey

SBMCDFPOKJWNHK-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-1-(2-methoxy-6-phenylquinolin-3-yl)-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]+	553.28493	241.1
[M+Na]+	575.26687	243.8
[M-H]-	551.27037	251.8
[M+NH4]+	570.31147	243.6
[M+K]+	591.24081	236.4
[M+H-H2O]+	535.27491	225.8
[M+HCOO]-	597.27585	255.0
[M+CH3COO]-	611.29150	245.5
[M+Na-2H]-	573.25232	244.0
[M]+	552.27710	242.2
[M]-	552.27820	242.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

553.28493

241.1

[M+Na]+

575.26687

243.8

[M-H]-

551.27037

251.8

[M+NH4]+

570.31147

243.6

[M+K]+

591.24081

236.4

[M+H-H2O]+

535.27491

225.8

[M+HCOO]-

597.27585

255.0

[M+CH3COO]-

611.29150

245.5

[M+Na-2H]-

573.25232

244.0

[M]+

552.27710

242.2

[M]-

552.27820

242.2

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

4-(dimethylamino)-1-(2-methoxy-6-phenyl-3-quinolyl)-2-(1-naphthyl)-1-phenyl-butan-2-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe