CID 63291

Brn 5572958

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
CC(C)N1C2=CC=CC=C2C(=O)N=C1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15ClN2O/c1-11(2)20-15-6-4-3-5-14(15)17(21)19-16(20)12-7-9-13(18)10-8-12/h3-11H,1-2H3
InChIKey
PMQQDJFDYHQFOR-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-propan-2-ylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.08728 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 167.1
[M+Na]+ 321.07650 185.6
[M+NH4]+ 316.12110 176.2
[M+K]+ 337.05044 176.1
[M-H]- 297.08000 172.0
[M+Na-2H]- 319.06195 176.8
[M]+ 298.08673 171.7
[M]- 298.08783 171.7
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

No patent data available for this compound.