CID 3052881

69381-62-0

Structural Information

Molecular Formula

C₁₇H₁₉N

SMILES

CC1CC2=C(CN1C)C(=CC=C2)C3=CC=CC=C3

InChI

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

InChIKey

BJNIQAHXSHOGCL-UHFFFAOYSA-N

Compound name

2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 237.15175 Da
Monoisotopic Mass: 3.9
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]+	238.15903	155.5
[M+Na]+	260.14097	163.1
[M-H]-	236.14447	161.4
[M+NH4]+	255.18557	173.1
[M+K]+	276.11491	157.9
[M+H-H2O]+	220.14901	147.0
[M+HCOO]-	282.14995	174.5
[M+CH3COO]-	296.16560	167.4
[M+Na-2H]-	258.12642	160.9
[M]+	237.15120	153.0
[M]-	237.15230	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe