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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08086 169.0
[M+Na]+ 333.06280 177.3
[M-H]- 309.06630 167.2
[M+NH4]+ 328.10740 177.3
[M+K]+ 349.03674 169.9
[M+H-H2O]+ 293.07084 161.1
[M+HCOO]- 355.07178 174.6
[M+CH3COO]- 369.08743 176.8
[M+Na-2H]- 331.04825 173.4
[M]+ 310.07303 164.4
[M]- 310.07413 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.