CID 135483591

6-amino-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one

Structural Information

Molecular Formula
C9H7N5O
SMILES
C1=C2C(=CC3=C1NC=N3)N=C(NC2=O)N
InChI
InChI=1S/C9H7N5O/c10-9-13-5-2-7-6(11-3-12-7)1-4(5)8(15)14-9/h1-3H,(H,11,12)(H3,10,13,14,15)
InChIKey
VQSMWFVKBKMHTO-UHFFFAOYSA-N
Compound name
6-amino-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

201.06506 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.07234 140.6
[M+Na]+ 224.05428 153.3
[M-H]- 200.05778 139.3
[M+NH4]+ 219.09888 156.9
[M+K]+ 240.02822 146.7
[M+H-H2O]+ 184.06232 132.9
[M+HCOO]- 246.06326 159.6
[M+CH3COO]- 260.07891 152.9
[M+Na-2H]- 222.03973 149.6
[M]+ 201.06451 139.2
[M]- 201.06561 139.2
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