CID 135623998

130148-49-1

Structural Information

Molecular Formula
C8H7N3O
SMILES
C1=CC2=C(C(=C1)N)N=CNC2=O
InChI
InChI=1S/C8H7N3O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4H,9H2,(H,10,11,12)
InChIKey
PYVNSJBGHICCFN-UHFFFAOYSA-N
Compound name
8-amino-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

161.05891 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.066186 130.1
[M+Na]+ 184.048128 140.5
[M-H]- 160.051634 131.0
[M+NH4]+ 179.092733 148.4
[M+K]+ 200.022068 136.2
[M+H-H2O]+ 144.056170 123.3
[M+HCOO]- 206.057111 151.7
[M+CH3COO]- 220.072761 143.4
[M+Na-2H]- 182.033576 139.8
[M]+ 161.05836142 127.6
[M]- 161.05945858 127.6
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