CID 3021943

Isoquinoline, 1-(2-methylphenyl)-3-(1-methyl-4-piperidinyl)-, hydrochloride

Structural Information

Molecular Formula
C22H24N2
SMILES
CC1=CC=CC=C1C2=NC(=CC3=CC=CC=C32)C4CCN(CC4)C
InChI
InChI=1S/C22H24N2/c1-16-7-3-5-9-19(16)22-20-10-6-4-8-18(20)15-21(23-22)17-11-13-24(2)14-12-17/h3-10,15,17H,11-14H2,1-2H3
InChIKey
VPSKXTJBNQJVBO-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.19394 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20122 180.1
[M+Na]+ 339.18316 197.7
[M+NH4]+ 334.22776 190.1
[M+K]+ 355.15710 186.8
[M-H]- 315.18666 188.0
[M+Na-2H]- 337.16861 190.6
[M]+ 316.19339 185.2
[M]- 316.19449 185.2
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.