CID 1070670

299928-87-3

Structural Information

Molecular Formula
C15H9BrCl2N2O
SMILES
CC1=NC2=C(C=C(C=C2Cl)Cl)C(=O)N1C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H9BrCl2N2O/c1-8-19-14-12(6-10(17)7-13(14)18)15(21)20(8)11-4-2-9(16)3-5-11/h2-7H,1H3
InChIKey
CEEXPEOYRJTTGP-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-6,8-dichloro-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.92752 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.93480 169.3
[M+Na]+ 404.91674 186.1
[M-H]- 380.92024 177.0
[M+NH4]+ 399.96134 185.7
[M+K]+ 420.89068 171.1
[M+H-H2O]+ 364.92478 168.3
[M+HCOO]- 426.92572 179.0
[M+CH3COO]- 440.94137 183.2
[M+Na-2H]- 402.90219 175.5
[M]+ 381.92697 192.9
[M]- 381.92807 192.9
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

No patent data available for this compound.