CID 135403814

2-amino-3h-quinazolin-4-one

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC=C2C(=C1)C(=O)NC(=N2)N
InChI
InChI=1S/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12)
InChIKey
SDTFBAXSPXZDKC-UHFFFAOYSA-N
Compound name
2-amino-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

296
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 130.0
[M+Na]+ 184.04813 143.9
[M+NH4]+ 179.09273 138.2
[M+K]+ 200.02207 137.8
[M-H]- 160.05163 131.8
[M+Na-2H]- 182.03358 137.3
[M]+ 161.05836 132.3
[M]- 161.05946 132.3
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