CID 3421156

618443-47-3

Structural Information

Molecular Formula
C15H9Cl3N2O
SMILES
C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(C2=O)C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H9Cl3N2O/c16-9-4-5-14-10(6-9)15(21)20(8-19-14)7-11-12(17)2-1-3-13(11)18/h1-6,8H,7H2
InChIKey
HPDXHEKBTFCZDO-UHFFFAOYSA-N
Compound name
6-chloro-3-[(2,6-dichlorophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.97806 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.98534 168.9
[M+Na]+ 360.96728 181.9
[M-H]- 336.97078 172.2
[M+NH4]+ 356.01188 182.6
[M+K]+ 376.94122 173.9
[M+H-H2O]+ 320.97532 160.9
[M+HCOO]- 382.97626 174.8
[M+CH3COO]- 396.99191 179.8
[M+Na-2H]- 358.95273 173.2
[M]+ 337.97751 174.0
[M]- 337.97861 174.0
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.