CID 3021931

Isoquinoline, 1-phenyl-3-(1,2,5,6-tetrahydro-4-pyridinyl)-, hydrochloride

Structural Information

Molecular Formula
C20H18N2
SMILES
C1CNCC=C1C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C20H18N2/c1-2-6-16(7-3-1)20-18-9-5-4-8-17(18)14-19(22-20)15-10-12-21-13-11-15/h1-10,14,21H,11-13H2
InChIKey
HWHBJVJAWUVBAQ-UHFFFAOYSA-N
Compound name
1-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.147 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15428 170.3
[M+Na]+ 309.13622 187.9
[M+NH4]+ 304.18082 180.3
[M+K]+ 325.11016 177.2
[M-H]- 285.13972 177.8
[M+Na-2H]- 307.12167 182.1
[M]+ 286.14645 175.2
[M]- 286.14755 175.2
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

No patent data available for this compound.