CID 19890880

1,2,3,4-tetrahydro-1,8-naphthyridin-4-one

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1CNC2=C(C1=O)C=CC=N2
InChI
InChI=1S/C8H8N2O/c11-7-3-5-10-8-6(7)2-1-4-9-8/h1-2,4H,3,5H2,(H,9,10)
InChIKey
GLGXFIOPGKDBIF-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-1,8-naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

148.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 128.5
[M+Na]+ 171.052878 136.6
[M-H]- 147.056384 128.7
[M+NH4]+ 166.097483 147.3
[M+K]+ 187.026818 133.2
[M+H-H2O]+ 131.060920 121.5
[M+HCOO]- 193.061861 146.7
[M+CH3COO]- 207.077511 141.1
[M+Na-2H]- 169.038326 137.4
[M]+ 148.06311142 124.2
[M]- 148.06420858 124.2
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

patents stripe