CID 3024608

96719-43-6

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]+ 286.159036 168.1
[M+Na]+ 308.140978 174.1
[M-H]- 284.144484 176.2
[M+NH4]+ 303.185583 182.4
[M+K]+ 324.114918 167.1
[M+H-H2O]+ 268.149020 157.4
[M+HCOO]- 330.149961 186.7
[M+CH3COO]- 344.165611 178.5
[M+Na-2H]- 306.126426 174.2
[M]+ 285.15121142 163.6
[M]- 285.15230858 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.