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 186.8
[M+Na]+ 363.18316 193.5
[M-H]- 339.18666 193.6
[M+NH4]+ 358.22776 197.9
[M+K]+ 379.15710 185.1
[M+H-H2O]+ 323.19120 174.8
[M+HCOO]- 385.19214 203.0
[M+CH3COO]- 399.20779 195.7
[M+Na-2H]- 361.16861 189.7
[M]+ 340.19339 183.8
[M]- 340.19449 183.8
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.