CID 220188

3-hydroxy-2,4(1h,3h)-quinazolinedione

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)N2)O
InChI
InChI=1S/C8H6N2O3/c11-7-5-3-1-2-4-6(5)9-8(12)10(7)13/h1-4,13H,(H,9,12)
InChIKey
TZZSQUATPYDROZ-UHFFFAOYSA-N
Compound name
3-hydroxy-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

61
Patents

178.03784 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 131.8
[M+Na]+ 201.02706 143.5
[M-H]- 177.03056 132.2
[M+NH4]+ 196.07166 149.4
[M+K]+ 217.00100 139.3
[M+H-H2O]+ 161.03510 125.3
[M+HCOO]- 223.03604 151.9
[M+CH3COO]- 237.05169 174.3
[M+Na-2H]- 199.01251 140.8
[M]+ 178.03729 131.6
[M]- 178.03839 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe