CID 63266

Brn 0696869

Structural Information

Molecular Formula

C₁₉H₂₁N₃OS

SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCN(C)C

InChI

InChI=1S/C19H21N3OS/c1-14-8-10-15(11-9-14)22-18(23)16-6-4-5-7-17(16)20-19(22)24-13-12-21(2)3/h4-11H,12-13H2,1-3H3

InChIKey

OENKYCWHAUTGAF-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 339.14053 Da
Monoisotopic Mass: 3.8
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]+	340.147806	179.7
[M+Na]+	362.129748	188.9
[M-H]-	338.133254	186.1
[M+NH4]+	357.174353	192.8
[M+K]+	378.103688	183.0
[M+H-H2O]+	322.137790	169.9
[M+HCOO]-	384.138731	196.2
[M+CH3COO]-	398.154381	190.4
[M+Na-2H]-	360.115196	182.7
[M]+	339.13998142	185.2
[M]-	339.14107858	185.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.