CID 43605632

N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide hydrochloride

Structural Information

Molecular Formula
C12H13ClN2O2S2
SMILES
C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(S2)Cl)N
InChI
InChI=1S/C12H13ClN2O2S2/c13-11-6-7-12(18-11)19(16,17)15-8-10(14)9-4-2-1-3-5-9/h1-7,10,15H,8,14H2
InChIKey
ZPYKMQZKCBNJFG-UHFFFAOYSA-N
Compound name
N-(2-amino-2-phenylethyl)-5-chlorothiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0107 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.01798 168.9
[M+Na]+ 338.99992 176.8
[M-H]- 315.00342 175.2
[M+NH4]+ 334.04452 185.6
[M+K]+ 354.97386 170.0
[M+H-H2O]+ 299.00796 163.4
[M+HCOO]- 361.00890 178.9
[M+CH3COO]- 375.02455 201.9
[M+Na-2H]- 336.98537 169.7
[M]+ 316.01015 171.5
[M]- 316.01125 171.5
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.