CID 6105572

286411-09-4

Structural Information

Molecular Formula
C14H9ClN2O
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)Cl
InChI
InChI=1S/C14H9ClN2O/c15-13-7-6-10-12(18)8-11(16-14(10)17-13)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKey
JSCUNIPKMPNPFX-UHFFFAOYSA-N
Compound name
7-chloro-2-phenyl-1H-1,8-naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

24
Patents

256.04034 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.04762 154.1
[M+Na]+ 279.02956 172.7
[M+NH4]+ 274.07416 163.5
[M+K]+ 295.00350 163.2
[M-H]- 255.03306 158.8
[M+Na-2H]- 277.01501 164.6
[M]+ 256.03979 158.6
[M]- 256.04089 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe