CID 3003304

N-[[(2-cyanoacetyl)amino]carbamothioyl]furan-2-carboxamide

Structural Information

Molecular Formula
C9H8N4O3S
SMILES
C1=COC(=C1)C(=O)NC(=S)NNC(=O)CC#N
InChI
InChI=1S/C9H8N4O3S/c10-4-3-7(14)12-13-9(17)11-8(15)6-2-1-5-16-6/h1-2,5H,3H2,(H,12,14)(H2,11,13,15,17)
InChIKey
RGXHOGWLXKYQLR-UHFFFAOYSA-N
Compound name
N-[[(2-cyanoacetyl)amino]carbamothioyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.03171 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03899 165.9
[M+Na]+ 275.02093 172.7
[M-H]- 251.02443 169.5
[M+NH4]+ 270.06553 180.6
[M+K]+ 290.99487 171.9
[M+H-H2O]+ 235.02897 151.7
[M+HCOO]- 297.02991 182.0
[M+CH3COO]- 311.04556 205.4
[M+Na-2H]- 273.00638 166.6
[M]+ 252.03116 161.2
[M]- 252.03226 161.2
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.