CID 5183510

6-chloro-3-(2-chlorobenzyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C15H10Cl2N2O
SMILES
C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H10Cl2N2O/c16-11-5-6-14-12(7-11)15(20)19(9-18-14)8-10-3-1-2-4-13(10)17/h1-7,9H,8H2
InChIKey
YGBOQHWOXOTJLO-UHFFFAOYSA-N
Compound name
6-chloro-3-[(2-chlorophenyl)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]+ 305.024306 163.6
[M+Na]+ 327.006248 176.1
[M-H]- 303.009754 168.1
[M+NH4]+ 322.050853 178.5
[M+K]+ 342.980188 168.3
[M+H-H2O]+ 287.014290 155.2
[M+HCOO]- 349.015231 175.1
[M+CH3COO]- 363.030881 175.5
[M+Na-2H]- 324.991696 169.9
[M]+ 304.01648142 168.3
[M]- 304.01757858 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.