CID 3403606

141305-92-2

Structural Information

Molecular Formula
C15H10Cl2N2O
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H10Cl2N2O/c16-11-6-5-10(13(17)7-11)8-19-9-18-14-4-2-1-3-12(14)15(19)20/h1-7,9H,8H2
InChIKey
GRZQWUNRWDAJIP-UHFFFAOYSA-N
Compound name
3-[(2,4-dichlorophenyl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.01703 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02431 163.6
[M+Na]+ 327.00625 176.1
[M-H]- 303.00975 168.1
[M+NH4]+ 322.05085 178.5
[M+K]+ 342.98019 168.3
[M+H-H2O]+ 287.01429 155.2
[M+HCOO]- 349.01523 175.1
[M+CH3COO]- 363.03088 175.5
[M+Na-2H]- 324.99170 169.9
[M]+ 304.01648 168.3
[M]- 304.01758 168.3
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.