CID 4663033

6-amino-1-isopropyl-7-methyl-4-phenylquinazolin-2(1h)-one

Structural Information

Molecular Formula
C18H19N3O
SMILES
CC1=CC2=C(C=C1N)C(=NC(=O)N2C(C)C)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3O/c1-11(2)21-16-9-12(3)15(19)10-14(16)17(20-18(21)22)13-7-5-4-6-8-13/h4-11H,19H2,1-3H3
InChIKey
IJKRCDLJZQBETB-UHFFFAOYSA-N
Compound name
6-amino-7-methyl-4-phenyl-1-propan-2-ylquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1528 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 171.3
[M+Na]+ 316.142018 181.3
[M-H]- 292.145524 176.6
[M+NH4]+ 311.186623 185.0
[M+K]+ 332.115958 175.4
[M+H-H2O]+ 276.150060 161.9
[M+HCOO]- 338.151001 191.0
[M+CH3COO]- 352.166651 182.6
[M+Na-2H]- 314.127466 175.0
[M]+ 293.15225142 171.9
[M]- 293.15334858 171.9
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

patents stripe