CID 9840802

Schembl7163812

Structural Information

Molecular Formula
C17H14N4O2S
SMILES
C1=CC=NC(=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3
InChI
InChI=1S/C17H14N4O2S/c22-16(14-4-3-11-23-14)19-12-6-8-13(9-7-12)20-17(24)21-15-5-1-2-10-18-15/h1-11H,(H,19,22)(H2,18,20,21,24)
InChIKey
LYNYBHMEYAAYRM-UHFFFAOYSA-N
Compound name
N-[4-(pyridin-2-ylcarbamothioylamino)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

338.08374 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09102 177.0
[M+Na]+ 361.07296 182.6
[M-H]- 337.07646 186.4
[M+NH4]+ 356.11756 188.6
[M+K]+ 377.04690 178.3
[M+H-H2O]+ 321.08100 167.8
[M+HCOO]- 383.08194 197.3
[M+CH3COO]- 397.09759 187.3
[M+Na-2H]- 359.05841 180.5
[M]+ 338.08319 177.1
[M]- 338.08429 177.1
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

patents stripe