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 180.3
[M+Na]+ 341.19882 184.6
[M-H]- 317.20232 186.2
[M+NH4]+ 336.24342 191.9
[M+K]+ 357.17276 177.6
[M+H-H2O]+ 301.20686 168.3
[M+HCOO]- 363.20780 194.2
[M+CH3COO]- 377.22345 188.6
[M+Na-2H]- 339.18427 182.9
[M]+ 318.20905 174.1
[M]- 318.21015 174.1
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.