CID 135566422

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

Structural Information

Molecular Formula
C10H9N5O
SMILES
CC1=NC2=C(N1)C=C3C(=C2)N=C(NC3=O)N
InChI
InChI=1S/C10H9N5O/c1-4-12-7-2-5-6(3-8(7)13-4)14-10(11)15-9(5)16/h2-3H,1H3,(H,12,13)(H3,11,14,15,16)
InChIKey
PLJNUNPYZVVIRA-UHFFFAOYSA-N
Compound name
6-amino-2-methyl-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

215.0807 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.087976 146.4
[M+Na]+ 238.069918 159.6
[M-H]- 214.073424 145.4
[M+NH4]+ 233.114523 162.5
[M+K]+ 254.043858 152.8
[M+H-H2O]+ 198.077960 138.8
[M+HCOO]- 260.078901 165.0
[M+CH3COO]- 274.094551 158.6
[M+Na-2H]- 236.055366 154.1
[M]+ 215.08015142 145.8
[M]- 215.08124858 145.8
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