CID 3718973

N,n-diethyl-3-nitro-4-piperazin-1-ylbenzenesulfonamide

Structural Information

Molecular Formula
C14H22N4O4S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCNCC2)[N+](=O)[O-]
InChI
InChI=1S/C14H22N4O4S/c1-3-17(4-2)23(21,22)12-5-6-13(14(11-12)18(19)20)16-9-7-15-8-10-16/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKey
ODNKDPUHYONPMH-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-nitro-4-piperazin-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.13617 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14345 170.7
[M+Na]+ 365.12539 179.9
[M+NH4]+ 360.16999 175.9
[M+K]+ 381.09933 177.1
[M-H]- 341.12889 173.0
[M+Na-2H]- 363.11084 175.3
[M]+ 342.13562 172.6
[M]- 342.13672 172.6
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.