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

literature stripe

Patent stripe

patents stripe