CID 23585453

871813-90-0

Structural Information

Molecular Formula
C17H15ClN2O2
SMILES
CC(C)C1=NC2=C(C=CC(=C2)O)C(=O)N1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15ClN2O2/c1-10(2)16-19-15-9-13(21)7-8-14(15)17(22)20(16)12-5-3-11(18)4-6-12/h3-10,21H,1-2H3
InChIKey
OJVMSICJWQFIOS-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-7-hydroxy-2-propan-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

314.0822 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08948 170.9
[M+Na]+ 337.07142 188.8
[M+NH4]+ 332.11602 179.1
[M+K]+ 353.04536 180.2
[M-H]- 313.07492 174.9
[M+Na-2H]- 335.05687 179.3
[M]+ 314.08165 175.1
[M]- 314.08275 175.1
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