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 167.0
[M+Na]+ 321.07650 178.0
[M-H]- 297.08000 172.2
[M+NH4]+ 316.12110 181.7
[M+K]+ 337.05044 171.2
[M+H-H2O]+ 281.08454 158.0
[M+HCOO]- 343.08548 182.0
[M+CH3COO]- 357.10113 178.7
[M+Na-2H]- 319.06195 172.0
[M]+ 298.08673 170.6
[M]- 298.08783 170.6
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

No patent data available for this compound.