CID 3068161

83089-58-1

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₄S

SMILES

CCOC(=O)C(=O)NC1=NC(=CS1)C2=CC=CO2

InChI

InChI=1S/C11H10N2O4S/c1-2-16-10(15)9(14)13-11-12-7(6-18-11)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14)

InChIKey

XMEWWFLNPIMVLI-UHFFFAOYSA-N

Compound name

ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.03613 Da
Monoisotopic Mass: 1.9
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]+	267.043406	158.5
[M+Na]+	289.025348	167.6
[M-H]-	265.028854	166.2
[M+NH4]+	284.069953	176.3
[M+K]+	304.999288	166.9
[M+H-H2O]+	249.033390	152.1
[M+HCOO]-	311.034331	180.0
[M+CH3COO]-	325.049981	191.7
[M+Na-2H]-	287.010796	159.4
[M]+	266.03558142	165.5
[M]-	266.03667858	165.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.