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 165.4
[M+Na]+ 442.93652 178.2
[M-H]- 418.94002 173.9
[M+NH4]+ 437.98112 180.1
[M+K]+ 458.91046 162.4
[M+H-H2O]+ 402.94456 172.3
[M+HCOO]- 464.94550 178.9
[M+CH3COO]- 478.96115 178.5
[M+Na-2H]- 440.92197 170.8
[M]+ 419.94675 201.8
[M]- 419.94785 201.8
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.