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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	299.094556	167.0
[M+Na]+	321.076498	178.0
[M-H]-	297.080004	172.2
[M+NH4]+	316.121103	181.7
[M+K]+	337.050438	171.2
[M+H-H2O]+	281.084540	158.0
[M+HCOO]-	343.085481	182.0
[M+CH3COO]-	357.101131	178.7
[M+Na-2H]-	319.061946	172.0
[M]+	298.08673142	170.6
[M]-	298.08782858	170.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.