CID 18100183

[(3-carbamoylthiophen-2-yl)carbamoyl]methyl 3-methylfuran-2-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₅S

SMILES

CC1=C(OC=C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C13H12N2O5S/c1-7-2-4-19-10(7)13(18)20-6-9(16)15-12-8(11(14)17)3-5-21-12/h2-5H,6H2,1H3,(H2,14,17)(H,15,16)

InChIKey

BFGAJCJRHDGBIN-UHFFFAOYSA-N

Compound name

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-methylfuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 308.0467 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]+	309.053976	171.0
[M+Na]+	331.035918	178.4
[M-H]-	307.039424	179.3
[M+NH4]+	326.080523	187.4
[M+K]+	347.009858	177.5
[M+H-H2O]+	291.043960	164.6
[M+HCOO]-	353.044901	192.5
[M+CH3COO]-	367.060551	203.8
[M+Na-2H]-	329.021366	169.4
[M]+	308.04615142	176.9
[M]-	308.04724858	176.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.