CID 91392493

Ethyl 2-[n-(2-formylphenyl)benzenesulfonamido]acetate

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 177.2
[M+Na]+ 370.07195 188.1
[M+NH4]+ 365.11655 183.0
[M+K]+ 386.04589 181.3
[M-H]- 346.07545 179.5
[M+Na-2H]- 368.05740 184.3
[M]+ 347.08218 179.7
[M]- 347.08328 179.7
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.