CID 478557

4,6-dimethyl-2-phenyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula

C₁₇H₁₉N

SMILES

CC1CC(NC2=C1C=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C17H19N/c1-12-8-9-16-15(10-12)13(2)11-17(18-16)14-6-4-3-5-7-14/h3-10,13,17-18H,11H2,1-2H3

InChIKey

VCADEWAIGXBDGL-UHFFFAOYSA-N

Compound name

4,6-dimethyl-2-phenyl-1,2,3,4-tetrahydroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 237.15175 Da
Monoisotopic Mass: 4.5
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]+	238.159026	155.8
[M+Na]+	260.140968	163.0
[M-H]-	236.144474	160.3
[M+NH4]+	255.185573	172.7
[M+K]+	276.114908	156.9
[M+H-H2O]+	220.149010	147.7
[M+HCOO]-	282.149951	173.3
[M+CH3COO]-	296.165601	167.0
[M+Na-2H]-	258.126416	160.8
[M]+	237.15120142	151.6
[M]-	237.15229858	151.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.