CID 677929

75129-78-1

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂S

SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C15H12N2O2S/c1-19-11-8-6-10(7-9-11)17-14(18)12-4-2-3-5-13(12)16-15(17)20/h2-9H,1H3,(H,16,20)

InChIKey

FMFXCPZRAWGWGX-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 8
Patents: 284.06195 Da
Monoisotopic Mass: 2.8
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]+	285.06923	161.8
[M+Na]+	307.05117	178.7
[M+NH4]+	302.09577	170.2
[M+K]+	323.02511	168.4
[M-H]-	283.05467	165.9
[M+Na-2H]-	305.03662	170.5
[M]+	284.06140	166.0
[M]-	284.06250	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe