CID 3875198

618443-46-2

Structural Information

Molecular Formula
C15H10Cl2N2O
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C15H10Cl2N2O/c16-12-5-3-6-13(17)11(12)8-19-9-18-14-7-2-1-4-10(14)15(19)20/h1-7,9H,8H2
InChIKey
NJJSRZYXNVVZOK-UHFFFAOYSA-N
Compound name
3-[(2,6-dichlorophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.01703 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02431 164.5
[M+Na]+ 327.00625 184.2
[M+NH4]+ 322.05085 174.1
[M+K]+ 342.98019 173.6
[M-H]- 303.00975 169.5
[M+Na-2H]- 324.99170 174.9
[M]+ 304.01648 169.7
[M]- 304.01758 169.7
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.