CID 54723891

4-hydroxy-1-oxo-1,2-dihydroisoquinoline-3-carboxamide

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=CC=C2C(=C1)C(=C(NC2=O)C(=O)N)O
InChI
InChI=1S/C10H8N2O3/c11-9(14)7-8(13)5-3-1-2-4-6(5)10(15)12-7/h1-4,13H,(H2,11,14)(H,12,15)
InChIKey
IBXVQOAFBNLVDH-UHFFFAOYSA-N
Compound name
4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

204.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 139.9
[M+Na]+ 227.04272 149.6
[M-H]- 203.04622 141.0
[M+NH4]+ 222.08732 157.1
[M+K]+ 243.01666 145.3
[M+H-H2O]+ 187.05076 133.8
[M+HCOO]- 249.05170 160.1
[M+CH3COO]- 263.06735 183.0
[M+Na-2H]- 225.02817 146.0
[M]+ 204.05295 137.6
[M]- 204.05405 137.6
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