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]+ 335.06963 177.7
[M+Na]+ 357.05157 183.0
[M-H]- 333.05507 184.1
[M+NH4]+ 352.09617 190.7
[M+K]+ 373.02551 180.9
[M+H-H2O]+ 317.05961 170.3
[M+HCOO]- 379.06055 195.5
[M+CH3COO]- 393.07620 207.0
[M+Na-2H]- 355.03702 177.1
[M]+ 334.06180 181.0
[M]- 334.06290 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.