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]+ 274.085616 155.1
[M+Na]+ 296.067558 160.8
[M-H]- 272.071064 158.7
[M+NH4]+ 291.112163 170.2
[M+K]+ 312.041498 153.5
[M+H-H2O]+ 256.075600 152.6
[M+HCOO]- 318.076541 175.9
[M+CH3COO]- 332.092191 193.9
[M+Na-2H]- 294.053006 162.0
[M]+ 273.07779142 155.5
[M]- 273.07888858 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.