CID 51550

Sulotroban

Structural Information

Molecular Formula
C16H17NO5S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C16H17NO5S/c18-16(19)12-22-14-8-6-13(7-9-14)10-11-17-23(20,21)15-4-2-1-3-5-15/h1-9,17H,10-12H2,(H,18,19)
InChIKey
XTNWJMVJVSGKLR-UHFFFAOYSA-N
Compound name
2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

145
References

1550
Patents

335.08273 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09001 174.6
[M+Na]+ 358.07195 180.1
[M-H]- 334.07545 179.6
[M+NH4]+ 353.11655 187.0
[M+K]+ 374.04589 175.9
[M+H-H2O]+ 318.07999 166.6
[M+HCOO]- 380.08093 191.6
[M+CH3COO]- 394.09658 204.7
[M+Na-2H]- 356.05740 178.4
[M]+ 335.08218 178.1
[M]- 335.08328 178.1
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.