CID 63444

4(3h)-quinazolinone, 6-bromo-3-(2,4-dimethylphenyl)-2-methyl-

Structural Information

Molecular Formula
C17H15BrN2O
SMILES
CC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C)C
InChI
InChI=1S/C17H15BrN2O/c1-10-4-7-16(11(2)8-10)20-12(3)19-15-6-5-13(18)9-14(15)17(20)21/h4-9H,1-3H3
InChIKey
QAJYXDPFUYJDTA-UHFFFAOYSA-N
Compound name
6-bromo-3-(2,4-dimethylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.03677 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.04405 168.9
[M+Na]+ 365.02599 177.1
[M+NH4]+ 360.07059 173.9
[M+K]+ 380.99993 174.5
[M-H]- 341.02949 172.0
[M+Na-2H]- 363.01144 174.4
[M]+ 342.03622 170.0
[M]- 342.03732 170.0
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.