CID 3682574

N,n-diethyl-4-hydrazinyl-3-nitrobenzene-1-sulfonamide

Structural Information

Molecular Formula
C10H16N4O4S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NN)[N+](=O)[O-]
InChI
InChI=1S/C10H16N4O4S/c1-3-13(4-2)19(17,18)8-5-6-9(12-11)10(7-8)14(15)16/h5-7,12H,3-4,11H2,1-2H3
InChIKey
BWCJCBNRARESCF-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-hydrazinyl-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.08923 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09651 157.6
[M+Na]+ 311.07845 162.4
[M-H]- 287.08195 161.9
[M+NH4]+ 306.12305 171.9
[M+K]+ 327.05239 156.2
[M+H-H2O]+ 271.08649 154.4
[M+HCOO]- 333.08743 179.1
[M+CH3COO]- 347.10308 201.6
[M+Na-2H]- 309.06390 163.6
[M]+ 288.08868 157.3
[M]- 288.08978 157.3
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.