CID 135523810

87597-83-9

Structural Information

Molecular Formula
C8H6N4O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC(=N2)N
InChI
InChI=1S/C8H6N4O3/c9-8-10-6-2-1-4(12(14)15)3-5(6)7(13)11-8/h1-3H,(H3,9,10,11,13)
InChIKey
AFQWWNVKKIMPGC-UHFFFAOYSA-N
Compound name
2-amino-6-nitro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.04399 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.051266 136.3
[M+Na]+ 229.033208 145.7
[M-H]- 205.036714 137.5
[M+NH4]+ 224.077813 151.8
[M+K]+ 245.007148 137.7
[M+H-H2O]+ 189.041250 133.7
[M+HCOO]- 251.042191 158.9
[M+CH3COO]- 265.057841 178.6
[M+Na-2H]- 227.018656 147.0
[M]+ 206.04344142 132.8
[M]- 206.04453858 132.8
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