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]+ 303.185556 174.8
[M+Na]+ 325.167498 180.6
[M-H]- 301.171004 181.3
[M+NH4]+ 320.212103 187.2
[M+K]+ 341.141438 173.6
[M+H-H2O]+ 285.175540 163.1
[M+HCOO]- 347.176481 190.5
[M+CH3COO]- 361.192131 184.1
[M+Na-2H]- 323.152946 179.0
[M]+ 302.17773142 169.7
[M]- 302.17882858 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.