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

19
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 140.6
[M+Na]+ 227.04272 152.8
[M+NH4]+ 222.08732 147.3
[M+K]+ 243.01666 148.3
[M-H]- 203.04622 141.2
[M+Na-2H]- 225.02817 145.5
[M]+ 204.05295 142.2
[M]- 204.05405 142.2
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