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 170.4
[M+Na]+ 365.02599 185.0
[M-H]- 341.02949 178.9
[M+NH4]+ 360.07059 187.0
[M+K]+ 380.99993 171.9
[M+H-H2O]+ 325.03403 168.3
[M+HCOO]- 387.03497 188.7
[M+CH3COO]- 401.05062 184.4
[M+Na-2H]- 363.01144 176.4
[M]+ 342.03622 191.7
[M]- 342.03732 191.7
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.