CID 13319907

1-o-tolyl-3-(1-allyl-1,2,5,6-tetrahydro-4-pyridinyl)isoquinoline oxalate

Structural Information

Molecular Formula
C24H24N2
SMILES
CC1=CC=CC=C1C2=NC(=CC3=CC=CC=C32)C4=CCN(CC4)CC=C
InChI
InChI=1S/C24H24N2/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/h3-12,17H,1,13-16H2,2H3
InChIKey
IFSWTSIHOFWCLA-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-3-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.19394 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20122 187.0
[M+Na]+ 363.18316 205.1
[M+NH4]+ 358.22776 196.4
[M+K]+ 379.15710 193.4
[M-H]- 339.18666 194.7
[M+Na-2H]- 361.16861 197.7
[M]+ 340.19339 192.1
[M]- 340.19449 192.1
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.