CID 6447459

6-(3-(2,5-dimethylphenyl)-2-propenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

Structural Information

Molecular Formula
C19H22N2
SMILES
CC1=CC(=C(C=C1)C)/C=C/CN2CCC3=C(C2)C=CC=N3
InChI
InChI=1S/C19H22N2/c1-15-7-8-16(2)17(13-15)6-4-11-21-12-9-19-18(14-21)5-3-10-20-19/h3-8,10,13H,9,11-12,14H2,1-2H3/b6-4+
InChIKey
MISOUGBNRMZSBA-GQCTYLIASA-N
Compound name
6-[(E)-3-(2,5-dimethylphenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.17828 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.18556 169.3
[M+Na]+ 301.16750 176.2
[M-H]- 277.17100 173.2
[M+NH4]+ 296.21210 183.6
[M+K]+ 317.14144 169.7
[M+H-H2O]+ 261.17554 159.3
[M+HCOO]- 323.17648 186.3
[M+CH3COO]- 337.19213 179.4
[M+Na-2H]- 299.15295 173.4
[M]+ 278.17773 167.1
[M]- 278.17883 167.1
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.