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]+ 216.08013 143.6
[M+Na]+ 238.06207 151.3
[M-H]- 214.06557 146.7
[M+NH4]+ 233.10667 161.4
[M+K]+ 254.03601 147.5
[M+H-H2O]+ 198.07011 137.1
[M+HCOO]- 260.07105 163.7
[M+CH3COO]- 274.08670 191.1
[M+Na-2H]- 236.04752 147.5
[M]+ 215.07230 142.4
[M]- 215.07340 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.