CID 4599415

618443-49-5

Structural Information

Molecular Formula
C15H8Cl4N2O
SMILES
C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(C2=O)C=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C15H8Cl4N2O/c16-8-4-9-14(13(19)5-8)20-7-21(15(9)22)6-10-11(17)2-1-3-12(10)18/h1-5,7H,6H2
InChIKey
YVBUNMRUDZHQFL-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-[(2,6-dichlorophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.9391 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.94638 174.4
[M+Na]+ 394.92832 187.3
[M-H]- 370.93182 176.0
[M+NH4]+ 389.97292 186.6
[M+K]+ 410.90226 179.7
[M+H-H2O]+ 354.93636 166.9
[M+HCOO]- 416.93730 174.5
[M+CH3COO]- 430.95295 183.9
[M+Na-2H]- 392.91377 176.5
[M]+ 371.93855 179.0
[M]- 371.93965 179.0
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.