CID 21978863

5-amino-1,2,3,4-tetrahydroquinazoline-2,4-dione

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CC(=C2C(=C1)NC(=O)NC2=O)N
InChI
InChI=1S/C8H7N3O2/c9-4-2-1-3-5-6(4)7(12)11-8(13)10-5/h1-3H,9H2,(H2,10,11,12,13)
InChIKey
NDFCFTOWEKYFMV-UHFFFAOYSA-N
Compound name
5-amino-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

177.05383 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.5
[M+Na]+ 200.04305 144.5
[M-H]- 176.04655 133.4
[M+NH4]+ 195.08765 150.6
[M+K]+ 216.01699 139.3
[M+H-H2O]+ 160.05109 127.0
[M+HCOO]- 222.05203 153.9
[M+CH3COO]- 236.06768 176.7
[M+Na-2H]- 198.02850 141.8
[M]+ 177.05328 130.2
[M]- 177.05438 130.2
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