CID 219641

Ethyl ((phenylsulfonyl)amino)acetate

Structural Information

Molecular Formula

C₁₀H₁₃NO₄S

SMILES

CCOC(=O)CNS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H13NO4S/c1-2-15-10(12)8-11-16(13,14)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3

InChIKey

VCFOGNPFMKWERT-UHFFFAOYSA-N

Compound name

ethyl 2-(benzenesulfonamido)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.05653 Da
Monoisotopic Mass: 1.2
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]+	244.06381	151.3
[M+Na]+	266.04575	158.0
[M-H]-	242.04925	154.9
[M+NH4]+	261.09035	168.6
[M+K]+	282.01969	155.8
[M+H-H2O]+	226.05379	144.8
[M+HCOO]-	288.05473	170.1
[M+CH3COO]-	302.07038	189.1
[M+Na-2H]-	264.03120	155.9
[M]+	243.05598	155.3
[M]-	243.05708	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe