CID 3021939

3-(1-allyl-4-piperidinyl)-1-o-tolyl isoquinoline oxalate

Structural Information

Molecular Formula
C24H26N2
SMILES
CC1=CC=CC=C1C2=NC(=CC3=CC=CC=C32)C4CCN(CC4)CC=C
InChI
InChI=1S/C24H26N2/c1-3-14-26-15-12-19(13-16-26)23-17-20-9-5-7-11-22(20)24(25-23)21-10-6-4-8-18(21)2/h3-11,17,19H,1,12-16H2,2H3
InChIKey
FOJWHOUFBIRPLJ-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-3-(1-prop-2-enylpiperidin-4-yl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.2096 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21688 188.1
[M+Na]+ 365.19882 205.4
[M+NH4]+ 360.24342 197.5
[M+K]+ 381.17276 193.9
[M-H]- 341.20232 195.7
[M+Na-2H]- 363.18427 198.0
[M]+ 342.20905 193.0
[M]- 342.21015 193.0
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

patents stripe