CID 1266830

89369-45-9

Structural Information

Molecular Formula

C₁₇H₁₈N₂O₅S

SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2NS(=O)(=O)C

InChI

InChI=1S/C17H18N2O5S/c1-3-24-17(21)13-9-5-6-10-14(13)18-16(20)12-8-4-7-11-15(12)19-25(2,22)23/h4-11,19H,3H2,1-2H3,(H,18,20)

InChIKey

MHDUPYHBAPIONE-UHFFFAOYSA-N

Compound name

ethyl 2-[[2-(methanesulfonamido)benzoyl]amino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4
Patents: 362.09363 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	363.100906	181.9
[M+Na]+	385.082848	187.2
[M-H]-	361.086354	188.4
[M+NH4]+	380.127453	193.6
[M+K]+	401.056788	183.8
[M+H-H2O]+	345.090890	173.4
[M+HCOO]-	407.091831	200.0
[M+CH3COO]-	421.107481	215.3
[M+Na-2H]-	383.068296	184.5
[M]+	362.09308142	185.7
[M]-	362.09417858	185.7

Literature stripe

literature stripe

Patent stripe

patents stripe