CID 43603452

N-(2-aminoethyl)-2,5-dimethylthiophene-3-sulfonamide hydrochloride

Structural Information

Molecular Formula
C8H14N2O2S2
SMILES
CC1=CC(=C(S1)C)S(=O)(=O)NCCN
InChI
InChI=1S/C8H14N2O2S2/c1-6-5-8(7(2)13-6)14(11,12)10-4-3-9/h5,10H,3-4,9H2,1-2H3
InChIKey
QWZMWMWWIFVKTP-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-2,5-dimethylthiophene-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.04967 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05695 149.7
[M+Na]+ 257.03889 158.1
[M-H]- 233.04239 152.9
[M+NH4]+ 252.08349 169.3
[M+K]+ 273.01283 153.4
[M+H-H2O]+ 217.04693 143.9
[M+HCOO]- 279.04787 164.3
[M+CH3COO]- 293.06352 191.1
[M+Na-2H]- 255.02434 150.1
[M]+ 234.04912 151.9
[M]- 234.05022 151.9
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.