CID 6447458

1,6-naphthyridine, 5,6,7,8-tetrahydro-6-(3-(3,4-dichlorophenyl)-2-propenyl)-

Structural Information

Molecular Formula
C17H16Cl2N2
SMILES
C1CN(CC2=C1N=CC=C2)C/C=C/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2/c18-15-6-5-13(11-16(15)19)3-2-9-21-10-7-17-14(12-21)4-1-8-20-17/h1-6,8,11H,7,9-10,12H2/b3-2+
InChIKey
DGKWWLKTZDVURX-NSCUHMNNSA-N
Compound name
6-[(E)-3-(3,4-dichlorophenyl)prop-2-enyl]-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.06906 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07634 172.4
[M+Na]+ 341.05828 181.2
[M-H]- 317.06178 175.3
[M+NH4]+ 336.10288 186.3
[M+K]+ 357.03222 172.6
[M+H-H2O]+ 301.06632 163.3
[M+HCOO]- 363.06726 180.1
[M+CH3COO]- 377.08291 182.0
[M+Na-2H]- 339.04373 176.1
[M]+ 318.06851 172.8
[M]- 318.06961 172.8
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.