CID 4205304

93352-63-7

Structural Information

Molecular Formula
C10H15N3O4S
SMILES
CCNC1=C(C=C(C=C1)S(=O)(=O)NCC)[N+](=O)[O-]
InChI
InChI=1S/C10H15N3O4S/c1-3-11-9-6-5-8(7-10(9)13(14)15)18(16,17)12-4-2/h5-7,11-12H,3-4H2,1-2H3
InChIKey
WPRCPDDNBSVKDA-UHFFFAOYSA-N
Compound name
N-ethyl-4-(ethylamino)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.07834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08562 155.1
[M+Na]+ 296.06756 160.8
[M-H]- 272.07106 158.7
[M+NH4]+ 291.11216 170.2
[M+K]+ 312.04150 153.5
[M+H-H2O]+ 256.07560 152.6
[M+HCOO]- 318.07654 175.9
[M+CH3COO]- 332.09219 193.9
[M+Na-2H]- 294.05301 162.0
[M]+ 273.07779 155.5
[M]- 273.07889 155.5
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.