CID 3003296

Ethyl 4-(furan-2-carbonylcarbamothioylamino)-2-hydroxy-benzoate

Structural Information

Molecular Formula
C15H14N2O5S
SMILES
CCOC(=O)C1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CO2)O
InChI
InChI=1S/C15H14N2O5S/c1-2-21-14(20)10-6-5-9(8-11(10)18)16-15(23)17-13(19)12-4-3-7-22-12/h3-8,18H,2H2,1H3,(H2,16,17,19,23)
InChIKey
ABOHWMLKRCHVJU-UHFFFAOYSA-N
Compound name
ethyl 4-(furan-2-carbonylcarbamothioylamino)-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.06235 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.069626 177.7
[M+Na]+ 357.051568 183.0
[M-H]- 333.055074 184.1
[M+NH4]+ 352.096173 190.7
[M+K]+ 373.025508 180.9
[M+H-H2O]+ 317.059610 170.3
[M+HCOO]- 379.060551 195.5
[M+CH3COO]- 393.076201 207.0
[M+Na-2H]- 355.037016 177.1
[M]+ 334.06180142 181.0
[M]- 334.06289858 181.0
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.