CID 25023

2-benzyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C16H17N
SMILES
C1CN(CC2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17/h1-9H,10-13H2
InChIKey
PYVNEEKPCDOMIN-UHFFFAOYSA-N
Compound name
2-benzyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

67
Patents

223.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 150.7
[M+Na]+ 246.12532 156.7
[M-H]- 222.12882 155.9
[M+NH4]+ 241.16992 168.1
[M+K]+ 262.09926 151.7
[M+H-H2O]+ 206.13336 141.9
[M+HCOO]- 268.13430 170.0
[M+CH3COO]- 282.14995 162.2
[M+Na-2H]- 244.11077 158.1
[M]+ 223.13555 147.0
[M]- 223.13665 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe