CID 13319907

92123-96-1

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]+ 341.201216 186.8
[M+Na]+ 363.183158 193.5
[M-H]- 339.186664 193.6
[M+NH4]+ 358.227763 197.9
[M+K]+ 379.157098 185.1
[M+H-H2O]+ 323.191200 174.8
[M+HCOO]- 385.192141 203.0
[M+CH3COO]- 399.207791 195.7
[M+Na-2H]- 361.168606 189.7
[M]+ 340.19339142 183.8
[M]- 340.19448858 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.