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
1
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]+ 283.08595 161.5
[M+Na]+ 305.06789 164.7
[M-H]- 281.07139 168.1
[M+NH4]+ 300.11249 175.5
[M+K]+ 321.04183 158.9
[M+H-H2O]+ 265.07593 157.8
[M+HCOO]- 327.07687 180.1
[M+CH3COO]- 341.09252 194.3
[M+Na-2H]- 303.05334 165.4
[M]+ 282.07812 157.4
[M]- 282.07922 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.