CID 3021941

3-(1-methyl-4-piperidinyl)-1-phenylisoquinoline hydrochloride

Structural Information

Molecular Formula
C21H22N2
SMILES
CN1CCC(CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2/c1-23-13-11-16(12-14-23)20-15-18-9-5-6-10-19(18)21(22-20)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3
InChIKey
DOCGROJDUSUZTL-UHFFFAOYSA-N
Compound name
3-(1-methylpiperidin-4-yl)-1-phenylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.17828 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18556 174.8
[M+Na]+ 325.16750 180.6
[M-H]- 301.17100 181.3
[M+NH4]+ 320.21210 187.2
[M+K]+ 341.14144 173.6
[M+H-H2O]+ 285.17554 163.1
[M+HCOO]- 347.17648 190.5
[M+CH3COO]- 361.19213 184.1
[M+Na-2H]- 323.15295 179.0
[M]+ 302.17773 169.7
[M]- 302.17883 169.7
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.