CID 17109

Chinomethionate

Structural Information

Molecular Formula

C₁₀H₆N₂OS₂

SMILES

CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3

InChI

InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3

InChIKey

FBQQHUGEACOBDN-UHFFFAOYSA-N

Compound name

6-methyl-[1,3]dithiolo[4,5-b]quinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 22
References: 33542
Patents: 233.99216 Da
Monoisotopic Mass: 3.1
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]+	234.99944	144.7
[M+Na]+	256.98138	160.4
[M+NH4]+	252.02598	155.2
[M+K]+	272.95532	150.5
[M-H]-	232.98488	147.9
[M+Na-2H]-	254.96683	151.1
[M]+	233.99161	149.1
[M]-	233.99271	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe