CID 3068684

3,4-dihydro-7-methyl-1-phenyl-3-(1-piperidinylmethyl)isoquinoline dihydrochloride

Structural Information

Molecular Formula
C22H26N2
SMILES
CC1=CC2=C(CC(N=C2C3=CC=CC=C3)CN4CCCCC4)C=C1
InChI
InChI=1S/C22H26N2/c1-17-10-11-19-15-20(16-24-12-6-3-7-13-24)23-22(21(19)14-17)18-8-4-2-5-9-18/h2,4-5,8-11,14,20H,3,6-7,12-13,15-16H2,1H3
InChIKey
VXPQFGSJGQGTJP-UHFFFAOYSA-N
Compound name
7-methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2096 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 181.4
[M+Na]+ 341.19882 197.7
[M+NH4]+ 336.24342 191.3
[M+K]+ 357.17276 186.8
[M-H]- 317.20232 189.0
[M+Na-2H]- 339.18427 191.2
[M]+ 318.20905 186.1
[M]- 318.21015 186.1
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.