CID 39869788

4-(3-nitrobenzenesulfonyl)piperazin-2-one

Structural Information

Molecular Formula
C10H11N3O5S
SMILES
C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O5S/c14-10-7-12(5-4-11-10)19(17,18)9-3-1-2-8(6-9)13(15)16/h1-3,6H,4-5,7H2,(H,11,14)
InChIKey
OUPIGHVJMVXBJQ-UHFFFAOYSA-N
Compound name
4-(3-nitrophenyl)sulfonylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.04193 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04921 154.3
[M+Na]+ 308.03115 165.1
[M+NH4]+ 303.07575 159.6
[M+K]+ 324.00509 162.5
[M-H]- 284.03465 155.5
[M+Na-2H]- 306.01660 159.2
[M]+ 285.04138 156.1
[M]- 285.04248 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.