CID 154853429

2445786-92-3

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CN=CC2=C1C(=CC(=O)N2)N
InChI
InChI=1S/C8H7N3O/c9-6-3-8(12)11-7-4-10-2-1-5(6)7/h1-4H,(H3,9,11,12)
InChIKey
UPTIIZPJYMPEFI-UHFFFAOYSA-N
Compound name
4-amino-1H-1,7-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05891 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 130.0
[M+Na]+ 184.04813 143.9
[M+NH4]+ 179.09273 138.2
[M+K]+ 200.02207 137.8
[M-H]- 160.05163 131.8
[M+Na-2H]- 182.03358 137.3
[M]+ 161.05836 132.3
[M]- 161.05946 132.3
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

No patent data available for this compound.