CID 63198

1773-01-9

Structural Information

Molecular Formula

C₁₆H₁₆N₂O

SMILES

CC1NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C16H16N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10,12,17H,1-2H3

InChIKey

BMGGDTZUZLKORW-UHFFFAOYSA-N

Compound name

2-methyl-3-(2-methylphenyl)-1,2-dihydroquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.12627 Da
Monoisotopic Mass: 4.9
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]+	253.133546	159.4
[M+Na]+	275.115488	168.1
[M-H]-	251.118994	163.0
[M+NH4]+	270.160093	174.3
[M+K]+	291.089428	162.0
[M+H-H2O]+	235.123530	150.5
[M+HCOO]-	297.124471	176.1
[M+CH3COO]-	311.140121	170.4
[M+Na-2H]-	273.100936	164.1
[M]+	252.12572142	156.4
[M]-	252.12681858	156.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.