CID 806449

N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide

Structural Information

Molecular Formula
C14H14N2O3S
SMILES
CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CO2
InChI
InChI=1S/C14H14N2O3S/c1-2-18-11-7-5-10(6-8-11)15-14(20)16-13(17)12-4-3-9-19-12/h3-9H,2H2,1H3,(H2,15,16,17,20)
InChIKey
YXDXUULNGFDWNY-UHFFFAOYSA-N
Compound name
N-[(4-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

290.0725 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07978 167.4
[M+Na]+ 313.06172 173.4
[M-H]- 289.06522 175.0
[M+NH4]+ 308.10632 183.1
[M+K]+ 329.03566 171.1
[M+H-H2O]+ 273.06976 160.0
[M+HCOO]- 335.07070 187.6
[M+CH3COO]- 349.08635 201.0
[M+Na-2H]- 311.04717 169.0
[M]+ 290.07195 170.4
[M]- 290.07305 170.4
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.