CID 82898354

125106-43-6

Structural Information

Molecular Formula
C8H13N3O2S
SMILES
CCNS(=O)(=O)C1=CC(=C(C=C1)N)N
InChI
InChI=1S/C8H13N3O2S/c1-2-11-14(12,13)6-3-4-7(9)8(10)5-6/h3-5,11H,2,9-10H2,1H3
InChIKey
FPQOOTHSPNRKOU-UHFFFAOYSA-N
Compound name
3,4-diamino-N-ethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07285 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.080126 143.6
[M+Na]+ 238.062068 151.3
[M-H]- 214.065574 146.7
[M+NH4]+ 233.106673 161.4
[M+K]+ 254.036008 147.5
[M+H-H2O]+ 198.070110 137.1
[M+HCOO]- 260.071051 163.7
[M+CH3COO]- 274.086701 191.1
[M+Na-2H]- 236.047516 147.5
[M]+ 215.07230142 142.4
[M]- 215.07339858 142.4
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.