CID 4962800

N-(4-carbamothioylphenyl)furan-2-carboxamide

Structural Information

Molecular Formula
C12H10N2O2S
SMILES
C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=S)N
InChI
InChI=1S/C12H10N2O2S/c13-11(17)8-3-5-9(6-4-8)14-12(15)10-2-1-7-16-10/h1-7H,(H2,13,17)(H,14,15)
InChIKey
RXMLGSFGWMVUMC-UHFFFAOYSA-N
Compound name
N-(4-carbamothioylphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0463 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05358 154.6
[M+Na]+ 269.03552 164.6
[M+NH4]+ 264.08012 162.3
[M+K]+ 285.00946 159.6
[M-H]- 245.03902 159.7
[M+Na-2H]- 267.02097 160.5
[M]+ 246.04575 157.7
[M]- 246.04685 157.7
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.