CID 968929

30386-01-7

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N
InChI
InChI=1S/C8H7N3O2/c9-11-7(12)5-3-1-2-4-6(5)10-8(11)13/h1-4H,9H2,(H,10,13)
InChIKey
NMGODFWGUBLTTA-UHFFFAOYSA-N
Compound name
3-amino-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

953
Patents

177.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 132.9
[M+Na]+ 200.04305 144.3
[M-H]- 176.04655 134.1
[M+NH4]+ 195.08765 150.7
[M+K]+ 216.01699 139.9
[M+H-H2O]+ 160.05109 126.0
[M+HCOO]- 222.05203 154.8
[M+CH3COO]- 236.06768 179.0
[M+Na-2H]- 198.02850 141.7
[M]+ 177.05328 131.4
[M]- 177.05438 131.4
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