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]+ 283.056956 162.0
[M+Na]+ 305.038898 168.7
[M-H]- 281.042404 167.8
[M+NH4]+ 300.083503 179.0
[M+K]+ 321.012838 163.3
[M+H-H2O]+ 265.046940 155.3
[M+HCOO]- 327.047881 176.5
[M+CH3COO]- 341.063531 197.2
[M+Na-2H]- 303.024346 163.9
[M]+ 282.04913142 162.3
[M]- 282.05022858 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.