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 155.1
[M+Na]+ 269.03552 162.2
[M-H]- 245.03902 162.6
[M+NH4]+ 264.08012 172.3
[M+K]+ 285.00946 159.3
[M+H-H2O]+ 229.04356 148.3
[M+HCOO]- 291.04450 175.1
[M+CH3COO]- 305.06015 193.6
[M+Na-2H]- 267.02097 156.6
[M]+ 246.04575 155.3
[M]- 246.04685 155.3
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.