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 187.8
[M+Na]+ 365.19882 193.4
[M-H]- 341.20232 194.1
[M+NH4]+ 360.24342 198.7
[M+K]+ 381.17276 185.2
[M+H-H2O]+ 325.20686 175.7
[M+HCOO]- 387.20780 202.6
[M+CH3COO]- 401.22345 196.1
[M+Na-2H]- 363.18427 189.6
[M]+ 342.20905 183.3
[M]- 342.21015 183.3
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