CID 65940

Linotroban

Structural Information

Molecular Formula
C14H15NO5S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(S2)OCC(=O)O
InChI
InChI=1S/C14H15NO5S2/c16-13(17)10-20-14-7-6-11(21-14)8-9-15-22(18,19)12-4-2-1-3-5-12/h1-7,15H,8-10H2,(H,16,17)
InChIKey
ISSKMEQROMFEHL-UHFFFAOYSA-N
Compound name
2-[5-[2-(benzenesulfonamido)ethyl]thiophen-2-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

439
Patents

341.03915 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.04643 176.8
[M+Na]+ 364.02837 183.1
[M-H]- 340.03187 181.7
[M+NH4]+ 359.07297 191.0
[M+K]+ 380.00231 178.0
[M+H-H2O]+ 324.03641 170.2
[M+HCOO]- 386.03735 189.7
[M+CH3COO]- 400.05300 202.9
[M+Na-2H]- 362.01382 177.9
[M]+ 341.03860 181.4
[M]- 341.03970 181.4
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.