CID 135476766

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

Structural Information

Molecular Formula
C18H17N5O2
SMILES
COC1=CC=C(C=C1)CCC2=C3C(=CC4=C2N=CN4)C(=O)NC(=N3)N
InChI
InChI=1S/C18H17N5O2/c1-25-11-5-2-10(3-6-11)4-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-3,5-6,8-9H,4,7H2,1H3,(H,20,21)(H3,19,22,23,24)
InChIKey
UKRVQKUVWNDGMN-UHFFFAOYSA-N
Compound name
6-amino-4-[2-(4-methoxyphenyl)ethyl]-1,7-dihydroimidazo[4,5-g]quinazolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

335.1382 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.145476 179.3
[M+Na]+ 358.127418 190.6
[M-H]- 334.130924 181.1
[M+NH4]+ 353.172023 189.9
[M+K]+ 374.101358 182.1
[M+H-H2O]+ 318.135460 169.4
[M+HCOO]- 380.136401 196.4
[M+CH3COO]- 394.152051 188.9
[M+Na-2H]- 356.112866 184.5
[M]+ 335.13765142 180.5
[M]- 335.13874858 180.5
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