CID 49767240

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

Structural Information

Molecular Formula

C₂₃H₂₈N₂O₂

SMILES

CC(CCN(C)C)(C(C1=CC=CC=C1)C2=CC3=CC=CC=C3N=C2OC)O

InChI

InChI=1S/C23H28N2O2/c1-23(26,14-15-25(2)3)21(17-10-6-5-7-11-17)19-16-18-12-8-9-13-20(18)24-22(19)27-4/h5-13,16,21,26H,14-15H2,1-4H3

InChIKey

BKIMVYGXIMCWOW-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-methyl-1-phenylbutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 364.2151 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

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]+	365.222376	191.3
[M+Na]+	387.204318	195.7
[M-H]-	363.207824	196.6
[M+NH4]+	382.248923	202.6
[M+K]+	403.178258	191.7
[M+H-H2O]+	347.212360	181.5
[M+HCOO]-	409.213301	208.6
[M+CH3COO]-	423.228951	222.5
[M+Na-2H]-	385.189766	195.3
[M]+	364.21455142	193.7
[M]-	364.21564858	193.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.