CID 10757320

1170179-68-6

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₄S

SMILES

C1CN(CCN1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3

InChI

InChI=1S/C12H14N4O4S/c17-11-12(18)15-10-7-8(1-2-9(10)14-11)21(19,20)16-5-3-13-4-6-16/h1-2,7,13H,3-6H2,(H,14,17)(H,15,18)

InChIKey

YNJHFFWWEIDAFX-UHFFFAOYSA-N

Compound name

6-piperazin-1-ylsulfonyl-1,4-dihydroquinoxaline-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 310.07358 Da
Monoisotopic Mass: -1.1
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]+	311.080856	169.0
[M+Na]+	333.062798	177.3
[M-H]-	309.066304	167.2
[M+NH4]+	328.107403	177.3
[M+K]+	349.036738	169.9
[M+H-H2O]+	293.070840	161.1
[M+HCOO]-	355.071781	174.6
[M+CH3COO]-	369.087431	176.8
[M+Na-2H]-	331.048246	173.4
[M]+	310.07303142	164.4
[M]-	310.07412858	164.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.