CID 1071176

477318-83-5

Structural Information

Molecular Formula

C₂₂H₂₅N₃O₃S

SMILES

CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H25N3O3S/c1-4-24(5-2)20(26)15-29-22-23-19-10-8-7-9-18(19)21(27)25(22)16-11-13-17(14-12-16)28-6-3/h7-14H,4-6,15H2,1-3H3

InChIKey

FEKFDEVWGGMJJV-UHFFFAOYSA-N

Compound name

2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-diethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 411.16165 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]+	412.168926	198.6
[M+Na]+	434.150868	205.8
[M-H]-	410.154374	204.5
[M+NH4]+	429.195473	208.3
[M+K]+	450.124808	200.7
[M+H-H2O]+	394.158910	188.1
[M+HCOO]-	456.159851	213.6
[M+CH3COO]-	470.175501	230.0
[M+Na-2H]-	432.136316	199.6
[M]+	411.16110142	206.5
[M]-	411.16219858	206.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.