CID 91623838

1864062-27-0

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1CNCC2=C1NC(=O)C(=C2)C(=O)N
InChI
InChI=1S/C9H11N3O2/c10-8(13)6-3-5-4-11-2-1-7(5)12-9(6)14/h3,11H,1-2,4H2,(H2,10,13)(H,12,14)
InChIKey
FFLJUBLUKUUATF-UHFFFAOYSA-N
Compound name
2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.08513 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 140.2
[M+Na]+ 216.074348 147.5
[M-H]- 192.077854 138.8
[M+NH4]+ 211.118953 156.1
[M+K]+ 232.048288 143.0
[M+H-H2O]+ 176.082390 133.3
[M+HCOO]- 238.083331 156.3
[M+CH3COO]- 252.098981 180.0
[M+Na-2H]- 214.059796 145.6
[M]+ 193.08458142 133.4
[M]- 193.08567858 133.4
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