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 169.5
[M+Na]+ 301.16750 185.4
[M+NH4]+ 296.21210 178.6
[M+K]+ 317.14144 175.2
[M-H]- 277.17100 174.5
[M+Na-2H]- 299.15295 177.9
[M]+ 278.17773 173.4
[M]- 278.17883 173.4
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.