CID 12379515

6-chloro-4-(2-chlorophenyl)-2(1h)-quinazolinone

Structural Information

Molecular Formula
C14H8Cl2N2O
SMILES
C1=CC=C(C(=C1)C2=NC(=O)NC3=C2C=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H8Cl2N2O/c15-8-5-6-12-10(7-8)13(18-14(19)17-12)9-3-1-2-4-11(9)16/h1-7H,(H,17,18,19)
InChIKey
FIKXZQLWVRAQOA-UHFFFAOYSA-N
Compound name
6-chloro-4-(2-chlorophenyl)-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

290.00137 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.00865 158.9
[M+Na]+ 312.99059 171.5
[M-H]- 288.99409 162.3
[M+NH4]+ 308.03519 173.8
[M+K]+ 328.96453 163.0
[M+H-H2O]+ 272.99863 151.3
[M+HCOO]- 334.99957 169.3
[M+CH3COO]- 349.01522 170.6
[M+Na-2H]- 310.97604 165.5
[M]+ 290.00082 161.5
[M]- 290.00192 161.5
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

patents stripe