CID 43605638

N-(2-amino-2-phenylethyl)thiophene-2-sulfonamide hydrochloride

Structural Information

Molecular Formula
C12H14N2O2S2
SMILES
C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CS2)N
InChI
InChI=1S/C12H14N2O2S2/c13-11(10-5-2-1-3-6-10)9-14-18(15,16)12-7-4-8-17-12/h1-8,11,14H,9,13H2
InChIKey
YPQIXPWBGUDEGE-UHFFFAOYSA-N
Compound name
N-(2-amino-2-phenylethyl)thiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.04968 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05696 162.0
[M+Na]+ 305.03890 168.7
[M-H]- 281.04240 167.8
[M+NH4]+ 300.08350 179.0
[M+K]+ 321.01284 163.3
[M+H-H2O]+ 265.04694 155.3
[M+HCOO]- 327.04788 176.5
[M+CH3COO]- 341.06353 197.2
[M+Na-2H]- 303.02435 163.9
[M]+ 282.04913 162.3
[M]- 282.05023 162.3
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.