CID 178140

Sulfacecole

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₅S

SMILES

CCOCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C

InChI

InChI=1S/C14H17N3O5S/c1-3-21-9-14(18)15-11-4-6-12(7-5-11)23(19,20)17-13-8-10(2)22-16-13/h4-8H,3,9H2,1-2H3,(H,15,18)(H,16,17)

InChIKey

HZSKRKPZUQECIE-UHFFFAOYSA-N

Compound name

2-ethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 339.0889 Da
Monoisotopic Mass: 1.0
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]+	340.096176	176.1
[M+Na]+	362.078118	183.1
[M-H]-	338.081624	182.8
[M+NH4]+	357.122723	188.5
[M+K]+	378.052058	181.2
[M+H-H2O]+	322.086160	168.3
[M+HCOO]-	384.087101	195.1
[M+CH3COO]-	398.102751	209.6
[M+Na-2H]-	360.063566	179.7
[M]+	339.08835142	182.3
[M]-	339.08944858	182.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.