CID 63125

3-amino-4(3h)-quinazolinone

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)N
InChI
InChI=1S/C8H7N3O/c9-11-5-10-7-4-2-1-3-6(7)8(11)12/h1-5H,9H2
InChIKey
XZRJWCFKYOZVIH-UHFFFAOYSA-N
Compound name
3-aminoquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

59
Patents

161.05891 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 129.6
[M+Na]+ 184.04813 140.4
[M-H]- 160.05163 131.8
[M+NH4]+ 179.09273 148.6
[M+K]+ 200.02207 136.9
[M+H-H2O]+ 144.05617 122.4
[M+HCOO]- 206.05711 152.7
[M+CH3COO]- 220.07276 143.6
[M+Na-2H]- 182.03358 139.7
[M]+ 161.05836 128.9
[M]- 161.05946 128.9
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