CID 210870

21787-65-5

Structural Information

Molecular Formula

C₇H₆N₂O₂S₂

SMILES

CN(C=O)C1=C2C(=CSS2)NC1=O

InChI

InChI=1S/C7H6N2O2S2/c1-9(3-10)5-6-4(2-12-13-6)8-7(5)11/h2-3H,1H3,(H,8,11)

InChIKey

BFQVDMXSAODADC-UHFFFAOYSA-N

Compound name

N-methyl-N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 213.98708 Da
Monoisotopic Mass: -0.6
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]+	214.99436	143.5
[M+Na]+	236.97630	153.3
[M+NH4]+	232.02090	152.0
[M+K]+	252.95024	148.0
[M-H]-	212.97980	144.6
[M+Na-2H]-	234.96175	146.6
[M]+	213.98653	145.9
[M]-	213.98763	145.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.