CID 43134135

5-(2-ethanesulfonamidoethyl)thiophene-2-sulfonamide

Structural Information

Molecular Formula
C8H14N2O4S3
SMILES
CCS(=O)(=O)NCCC1=CC=C(S1)S(=O)(=O)N
InChI
InChI=1S/C8H14N2O4S3/c1-2-16(11,12)10-6-5-7-3-4-8(15-7)17(9,13)14/h3-4,10H,2,5-6H2,1H3,(H2,9,13,14)
InChIKey
ZULWJLOZZQTASG-UHFFFAOYSA-N
Compound name
5-[2-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.01157 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01885 167.4
[M+Na]+ 321.00079 174.5
[M-H]- 297.00429 168.9
[M+NH4]+ 316.04539 183.1
[M+K]+ 336.97473 167.8
[M+H-H2O]+ 281.00883 161.2
[M+HCOO]- 343.00977 175.1
[M+CH3COO]- 357.02542 198.3
[M+Na-2H]- 318.98624 169.3
[M]+ 298.01102 168.9
[M]- 298.01212 168.9
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.