CID 3024608

1,2,3,4-tetrahydro-1,2-diphenylisoquinoline hydrochloride

Structural Information

Molecular Formula
C21H19N
SMILES
C1CN(C(C2=CC=CC=C21)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H19N/c1-3-10-18(11-4-1)21-20-14-8-7-9-17(20)15-16-22(21)19-12-5-2-6-13-19/h1-14,21H,15-16H2
InChIKey
FDZNPOXDIHEVRB-UHFFFAOYSA-N
Compound name
1,2-diphenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.15176 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15904 168.1
[M+Na]+ 308.14098 174.1
[M-H]- 284.14448 176.2
[M+NH4]+ 303.18558 182.4
[M+K]+ 324.11492 167.1
[M+H-H2O]+ 268.14902 157.4
[M+HCOO]- 330.14996 186.7
[M+CH3COO]- 344.16561 178.5
[M+Na-2H]- 306.12643 174.2
[M]+ 285.15121 163.6
[M]- 285.15231 163.6
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

No patent data available for this compound.