CID 63758

27945-52-4

Structural Information

Molecular Formula
C17H15ClN2O2
SMILES
CC1=CC(=CC(=C1O)C)N2C(=NC3=C(C2=O)C=C(C=C3)Cl)C
InChI
InChI=1S/C17H15ClN2O2/c1-9-6-13(7-10(2)16(9)21)20-11(3)19-15-5-4-12(18)8-14(15)17(20)22/h4-8,21H,1-3H3
InChIKey
UERHDZOYJPYNOW-UHFFFAOYSA-N
Compound name
6-chloro-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0822 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08948 171.4
[M+Na]+ 337.07142 184.9
[M-H]- 313.07492 176.5
[M+NH4]+ 332.11602 185.7
[M+K]+ 353.04536 177.7
[M+H-H2O]+ 297.07946 163.3
[M+HCOO]- 359.08040 186.1
[M+CH3COO]- 373.09605 183.5
[M+Na-2H]- 335.05687 174.9
[M]+ 314.08165 176.5
[M]- 314.08275 176.5
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

No patent data available for this compound.