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

45
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 170.3
[M+Na]+ 337.07142 181.7
[M-H]- 313.07492 174.7
[M+NH4]+ 332.11602 183.9
[M+K]+ 353.04536 174.8
[M+H-H2O]+ 297.07946 161.9
[M+HCOO]- 359.08040 184.0
[M+CH3COO]- 373.09605 181.6
[M+Na-2H]- 335.05687 174.2
[M]+ 314.08165 174.0
[M]- 314.08275 174.0
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