CID 3059174

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

Structural Information

Molecular Formula
C15H14Cl2N2
SMILES
C1CN(CC2=C1N=CC=C2)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H14Cl2N2/c16-13-4-3-11(8-14(13)17)9-19-7-5-15-12(10-19)2-1-6-18-15/h1-4,6,8H,5,7,9-10H2
InChIKey
WZBYRKMZFMYIJT-UHFFFAOYSA-N
Compound name
6-[(3,4-dichlorophenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0534 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06068 163.7
[M+Na]+ 315.04262 173.1
[M-H]- 291.04612 167.0
[M+NH4]+ 310.08722 178.7
[M+K]+ 331.01656 165.5
[M+H-H2O]+ 275.05066 155.0
[M+HCOO]- 337.05160 172.0
[M+CH3COO]- 351.06725 174.2
[M+Na-2H]- 313.02807 168.6
[M]+ 292.05285 164.3
[M]- 292.05395 164.3
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