CID 5272741

3-hydroxy-1h-benzo[g]quinazoline-2,4-dione

Structural Information

Molecular Formula
C12H8N2O3
SMILES
C1=CC=C2C=C3C(=CC2=C1)C(=O)N(C(=O)N3)O
InChI
InChI=1S/C12H8N2O3/c15-11-9-5-7-3-1-2-4-8(7)6-10(9)13-12(16)14(11)17/h1-6,17H,(H,13,16)
InChIKey
OLPFYXOROMEPNE-UHFFFAOYSA-N
Compound name
3-hydroxy-1H-benzo[g]quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0535 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06078 145.0
[M+Na]+ 251.04272 158.1
[M-H]- 227.04622 146.8
[M+NH4]+ 246.08732 161.7
[M+K]+ 267.01666 152.2
[M+H-H2O]+ 211.05076 137.7
[M+HCOO]- 273.05170 164.8
[M+CH3COO]- 287.06735 158.1
[M+Na-2H]- 249.02817 155.3
[M]+ 228.05295 146.8
[M]- 228.05405 146.8
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.