CID 135438475

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

Structural Information

Molecular Formula
C17H15N5O
SMILES
C1=CC=C(C=C1)CCC2=C3C(=CC4=C2N=CN4)C(=O)NC(=N3)N
InChI
InChI=1S/C17H15N5O/c18-17-21-14-11(7-6-10-4-2-1-3-5-10)15-13(19-9-20-15)8-12(14)16(23)22-17/h1-5,8-9H,6-7H2,(H,19,20)(H3,18,21,22,23)
InChIKey
PBZAIUVFRISTSZ-UHFFFAOYSA-N
Compound name
6-amino-4-(2-phenylethyl)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.12766 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13494 170.8
[M+Na]+ 328.11688 181.9
[M-H]- 304.12038 172.3
[M+NH4]+ 323.16148 182.4
[M+K]+ 344.09082 172.9
[M+H-H2O]+ 288.12492 161.0
[M+HCOO]- 350.12586 188.2
[M+CH3COO]- 364.14151 180.7
[M+Na-2H]- 326.10233 177.3
[M]+ 305.12711 169.9
[M]- 305.12821 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.