CID 135414394

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

Structural Information

Molecular Formula
C18H17N5O
SMILES
CC1=CC=C(C=C1)CCC2=C3C(=CC4=C2N=CN4)C(=O)NC(=N3)N
InChI
InChI=1S/C18H17N5O/c1-10-2-4-11(5-3-10)6-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H3,19,22,23,24)
InChIKey
SPVJRTJUEVXOMS-UHFFFAOYSA-N
Compound name
6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

319.1433 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15058 176.9
[M+Na]+ 342.13252 188.4
[M-H]- 318.13602 178.6
[M+NH4]+ 337.17712 188.2
[M+K]+ 358.10646 179.2
[M+H-H2O]+ 302.14056 167.1
[M+HCOO]- 364.14150 193.8
[M+CH3COO]- 378.15715 186.6
[M+Na-2H]- 340.11797 181.9
[M]+ 319.14275 176.7
[M]- 319.14385 176.7
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