CID 9578410

14052-74-5

Structural Information

Molecular Formula
C11H14N4O3S
SMILES
C1CCN(CC1)C(=S)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H14N4O3S/c16-15(17)10-5-4-9(18-10)8-12-13-11(19)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,13,19)/b12-8+
InChIKey
OOWXHBICTWJDCR-XYOKQWHBSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

282.07867 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.085946 161.5
[M+Na]+ 305.067888 164.7
[M-H]- 281.071394 168.1
[M+NH4]+ 300.112493 175.5
[M+K]+ 321.041828 158.9
[M+H-H2O]+ 265.075930 157.8
[M+HCOO]- 327.076871 180.1
[M+CH3COO]- 341.092521 194.3
[M+Na-2H]- 303.053336 165.4
[M]+ 282.07812142 157.4
[M]- 282.07921858 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.