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]+ 247.053576 155.1
[M+Na]+ 269.035518 162.2
[M-H]- 245.039024 162.6
[M+NH4]+ 264.080123 172.3
[M+K]+ 285.009458 159.3
[M+H-H2O]+ 229.043560 148.3
[M+HCOO]- 291.044501 175.1
[M+CH3COO]- 305.060151 193.6
[M+Na-2H]- 267.020966 156.6
[M]+ 246.04575142 155.3
[M]- 246.04684858 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.