CID 50473

1,2,3,4-tetrahydro-3-methyl-8-phenylisoquinoline hydrochloride

Structural Information

Molecular Formula
C16H17N
SMILES
CC1CC2=C(CN1)C(=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-12-10-14-8-5-9-15(16(14)11-17-12)13-6-3-2-4-7-13/h2-9,12,17H,10-11H2,1H3
InChIKey
ZVJHUFMFBLRBAV-UHFFFAOYSA-N
Compound name
3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.1361 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 152.3
[M+Na]+ 246.12532 168.2
[M+NH4]+ 241.16992 162.8
[M+K]+ 262.09926 158.6
[M-H]- 222.12882 158.0
[M+Na-2H]- 244.11077 161.8
[M]+ 223.13555 156.4
[M]- 223.13665 156.4
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