CID 16122582

Ethyl 3-[4-(aminosulfonyl)phenyl]propanoate

Structural Information

Molecular Formula

C₁₁H₁₅NO₄S

SMILES

CCOC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C11H15NO4S/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)17(12,14)15/h3-4,6-7H,2,5,8H2,1H3,(H2,12,14,15)

InChIKey

OJBJALUJMRMNIR-UHFFFAOYSA-N

Compound name

ethyl 3-(4-sulfamoylphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 257.07217 Da
Monoisotopic Mass: 1.3
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]+	258.07945	155.7
[M+Na]+	280.06139	162.7
[M-H]-	256.06489	158.8
[M+NH4]+	275.10599	172.4
[M+K]+	296.03533	159.9
[M+H-H2O]+	240.06943	149.2
[M+HCOO]-	302.07037	173.4
[M+CH3COO]-	316.08602	192.8
[M+Na-2H]-	278.04684	158.1
[M]+	257.07162	159.4
[M]-	257.07272	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe