CID 64048

86-96-4

Structural Information

Molecular Formula
C8H6N2O2
SMILES
C1=CC=C2C(=C1)C(=O)NC(=O)N2
InChI
InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
InChIKey
SDQJTWBNWQABLE-UHFFFAOYSA-N
Compound name
1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

52
References

8179
Patents

162.04292 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 128.8
[M+Na]+ 185.03214 139.7
[M-H]- 161.03564 128.8
[M+NH4]+ 180.07674 146.8
[M+K]+ 201.00608 134.8
[M+H-H2O]+ 145.04018 122.3
[M+HCOO]- 207.04112 148.7
[M+CH3COO]- 221.05677 142.0
[M+Na-2H]- 183.01759 138.5
[M]+ 162.04237 126.7
[M]- 162.04347 126.7
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.