CID 32719

24853-83-6

Structural Information

Molecular Formula

C₁₆H₁₅N

SMILES

C1CN=C(C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C16H15N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9H,10-12H2

InChIKey

BQIIGTSQOCWPDH-UHFFFAOYSA-N

Compound name

1-benzyl-3,4-dihydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 58
Patents: 221.12045 Da
Monoisotopic Mass: 3.2
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]+	222.127726	149.4
[M+Na]+	244.109668	156.5
[M-H]-	220.113174	155.0
[M+NH4]+	239.154273	166.9
[M+K]+	260.083608	151.2
[M+H-H2O]+	204.117710	140.7
[M+HCOO]-	266.118651	170.1
[M+CH3COO]-	280.134301	161.5
[M+Na-2H]-	242.095116	157.9
[M]+	221.11990142	147.1
[M]-	221.12099858	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe