CID 3021933

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

Structural Information

Molecular Formula
C21H20N2
SMILES
CN1CCC=C(C1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C21H20N2/c1-23-13-7-11-18(15-23)20-14-17-10-5-6-12-19(17)21(22-20)16-8-3-2-4-9-16/h2-6,8-12,14H,7,13,15H2,1H3
InChIKey
VQUJQWRGYYZCBO-UHFFFAOYSA-N
Compound name
3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1-phenylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16266 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16994 173.8
[M+Na]+ 323.15188 180.6
[M-H]- 299.15538 180.7
[M+NH4]+ 318.19648 186.3
[M+K]+ 339.12582 173.4
[M+H-H2O]+ 283.15992 162.2
[M+HCOO]- 345.16086 190.9
[M+CH3COO]- 359.17651 183.6
[M+Na-2H]- 321.13733 179.1
[M]+ 300.16211 170.1
[M]- 300.16321 170.1
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.