CID 63204

6-chloro-4-phenyl-1h-quinazolin-2-one

Structural Information

Molecular Formula
C14H9ClN2O
SMILES
C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C14H9ClN2O/c15-10-6-7-12-11(8-10)13(17-14(18)16-12)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKey
DBKIXSRJBMRMMF-UHFFFAOYSA-N
Compound name
6-chloro-4-phenyl-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

34
Patents

256.04034 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.04762 153.6
[M+Na]+ 279.02956 165.0
[M-H]- 255.03306 157.5
[M+NH4]+ 274.07416 169.1
[M+K]+ 295.00350 157.4
[M+H-H2O]+ 239.03760 145.3
[M+HCOO]- 301.03854 169.2
[M+CH3COO]- 315.05419 165.8
[M+Na-2H]- 277.01501 161.7
[M]+ 256.03979 154.6
[M]- 256.04089 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe