CID 53414986

1-chloro-3-(pyridin-4-yl)-2,7-naphthyridine

Structural Information

Molecular Formula
C13H8ClN3
SMILES
C1=CN=CC=C1C2=NC(=C3C=NC=CC3=C2)Cl
InChI
InChI=1S/C13H8ClN3/c14-13-11-8-16-6-3-10(11)7-12(17-13)9-1-4-15-5-2-9/h1-8H
InChIKey
WZYSATHRBJEXPH-UHFFFAOYSA-N
Compound name
1-chloro-3-pyridin-4-yl-2,7-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04068 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.047956 150.6
[M+Na]+ 264.029898 161.7
[M-H]- 240.033404 154.0
[M+NH4]+ 259.074503 165.7
[M+K]+ 280.003838 154.9
[M+H-H2O]+ 224.037940 141.0
[M+HCOO]- 286.038881 166.2
[M+CH3COO]- 300.054531 162.8
[M+Na-2H]- 262.015346 160.5
[M]+ 241.04013142 152.2
[M]- 241.04122858 152.2
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.