CID 3021935

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

Structural Information

Molecular Formula
C20H18N2
SMILES
C1CNCC(=C1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C20H18N2/c1-2-7-15(8-3-1)20-18-11-5-4-9-16(18)13-19(22-20)17-10-6-12-21-14-17/h1-5,7-11,13,21H,6,12,14H2
InChIKey
BNVNRFIRMHZENS-UHFFFAOYSA-N
Compound name
1-phenyl-3-(1,2,3,6-tetrahydropyridin-5-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 168.3
[M+Na]+ 309.13622 174.3
[M-H]- 285.13972 173.7
[M+NH4]+ 304.18082 180.4
[M+K]+ 325.11016 166.4
[M+H-H2O]+ 269.14426 157.2
[M+HCOO]- 331.14520 184.4
[M+CH3COO]- 345.16085 177.6
[M+Na-2H]- 307.12167 174.6
[M]+ 286.14645 162.2
[M]- 286.14755 162.2
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.