CID 50467

2-benzyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C22H21N
SMILES
C1CN(CC2=C1C=CC=C2C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C22H21N/c1-3-8-18(9-4-1)16-23-15-14-20-12-7-13-21(22(20)17-23)19-10-5-2-6-11-19/h1-13H,14-17H2
InChIKey
PKVIYMBRNSWNMZ-UHFFFAOYSA-N
Compound name
2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.1674 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17468 172.6
[M+Na]+ 322.15662 178.1
[M-H]- 298.16012 180.5
[M+NH4]+ 317.20122 186.3
[M+K]+ 338.13056 171.0
[M+H-H2O]+ 282.16466 161.7
[M+HCOO]- 344.16560 190.9
[M+CH3COO]- 358.18125 182.5
[M+Na-2H]- 320.14207 178.1
[M]+ 299.16685 168.4
[M]- 299.16795 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe