CID 63764

4(3h)-quinazolinone, 6,8-dibromo-3-(2,4-dimethylphenyl)-2-methyl-

Structural Information

Molecular Formula
C17H14Br2N2O
SMILES
CC1=CC(=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3Br)Br)C)C
InChI
InChI=1S/C17H14Br2N2O/c1-9-4-5-15(10(2)6-9)21-11(3)20-16-13(17(21)22)7-12(18)8-14(16)19/h4-8H,1-3H3
InChIKey
IEBGLHHOJLXQIN-UHFFFAOYSA-N
Compound name
6,8-dibromo-3-(2,4-dimethylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.9473 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.95458 169.8
[M+Na]+ 442.93652 167.9
[M+NH4]+ 437.98112 171.8
[M+K]+ 458.91046 172.7
[M-H]- 418.94002 172.0
[M+Na-2H]- 440.92197 172.2
[M]+ 419.94675 169.3
[M]- 419.94785 169.3
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.