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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05398 171.0
[M+Na]+ 331.03592 178.4
[M-H]- 307.03942 179.3
[M+NH4]+ 326.08052 187.4
[M+K]+ 347.00986 177.5
[M+H-H2O]+ 291.04396 164.6
[M+HCOO]- 353.04490 192.5
[M+CH3COO]- 367.06055 203.8
[M+Na-2H]- 329.02137 169.4
[M]+ 308.04615 176.9
[M]- 308.04725 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.