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

literature stripe

Patent stripe

patents stripe