CID 135566394

2,6-diamino-1,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one

Structural Information

Molecular Formula
C9H8N6O
SMILES
C1=C2C(=CC3=C1NC(=N3)N)N=C(NC2=O)N
InChI
InChI=1S/C9H8N6O/c10-8-13-5-1-3-4(2-6(5)14-8)12-9(11)15-7(3)16/h1-2H,(H3,10,13,14)(H3,11,12,15,16)
InChIKey
WFECBOHPSURSGU-UHFFFAOYSA-N
Compound name
2,6-diamino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

216.07596 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.083236 144.5
[M+Na]+ 239.065178 157.3
[M-H]- 215.068684 143.4
[M+NH4]+ 234.109783 160.0
[M+K]+ 255.039118 150.5
[M+H-H2O]+ 199.073220 137.0
[M+HCOO]- 261.074161 164.0
[M+CH3COO]- 275.089811 156.4
[M+Na-2H]- 237.050626 152.6
[M]+ 216.07541142 142.1
[M]- 216.07650858 142.1
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