CID 91392493

Sulfa drug

Structural Information

Molecular Formula
C17H17NO5S
SMILES
CCOC(=O)CN(C1=CC=CC=C1C=O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H17NO5S/c1-2-23-17(20)12-18(16-11-7-6-8-14(16)13-19)24(21,22)15-9-4-3-5-10-15/h3-11,13H,2,12H2,1H3
InChIKey
DFRPGUIKXDWHSA-UHFFFAOYSA-N
Compound name
ethyl 2-[N-(benzenesulfonyl)-2-formylanilino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

347.08273 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09001 178.7
[M+Na]+ 370.07195 184.6
[M-H]- 346.07545 186.4
[M+NH4]+ 365.11655 191.9
[M+K]+ 386.04589 182.0
[M+H-H2O]+ 330.07999 170.1
[M+HCOO]- 392.08093 197.5
[M+CH3COO]- 406.09658 211.8
[M+Na-2H]- 368.05740 181.6
[M]+ 347.08218 184.9
[M]- 347.08328 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.