CID 4419431

Maybridge4_002417

Structural Information

Molecular Formula

C₈H₈N₄O₂S

SMILES

CS(=O)(=O)C(=CNC1=NC=CN=C1)C#N

InChI

InChI=1S/C8H8N4O2S/c1-15(13,14)7(4-9)5-12-8-6-10-2-3-11-8/h2-3,5-6H,1H3,(H,11,12)

InChIKey

CJYHZWCJBJAKAD-UHFFFAOYSA-N

Compound name

2-methylsulfonyl-3-(pyrazin-2-ylamino)prop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 224.0368 Da
Monoisotopic Mass: 0.0
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]+	225.044076	153.9
[M+Na]+	247.026018	162.9
[M-H]-	223.029524	154.6
[M+NH4]+	242.070623	167.4
[M+K]+	262.999958	160.5
[M+H-H2O]+	207.034060	139.6
[M+HCOO]-	269.035001	166.6
[M+CH3COO]-	283.050651	197.4
[M+Na-2H]-	245.011466	158.1
[M]+	224.03625142	149.5
[M]-	224.03734858	149.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.