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 174.4
[M+Na]+ 365.12539 177.1
[M-H]- 341.12889 177.4
[M+NH4]+ 360.16999 183.7
[M+K]+ 381.09933 169.5
[M+H-H2O]+ 325.13343 170.0
[M+HCOO]- 387.13437 186.9
[M+CH3COO]- 401.15002 204.1
[M+Na-2H]- 363.11084 178.8
[M]+ 342.13562 170.7
[M]- 342.13672 170.7
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.