CID 6447454

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

Structural Information

Molecular Formula
C17H18N2
SMILES
C1CN(CC2=C1N=CC=C2)C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C17H18N2/c1-2-6-15(7-3-1)8-5-12-19-13-10-17-16(14-19)9-4-11-18-17/h1-9,11H,10,12-14H2/b8-5+
InChIKey
PWKJWZPRNGWKNN-VMPITWQZSA-N
Compound name
6-[(E)-3-phenylprop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.154276 159.5
[M+Na]+ 273.136218 165.4
[M-H]- 249.139724 162.9
[M+NH4]+ 268.180823 174.3
[M+K]+ 289.110158 159.3
[M+H-H2O]+ 233.144260 149.4
[M+HCOO]- 295.145201 177.2
[M+CH3COO]- 309.160851 169.8
[M+Na-2H]- 271.121666 166.3
[M]+ 250.14645142 155.8
[M]- 250.14754858 155.8
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

patents stripe