CID 9578409

Brn 1019613

Structural Information

Molecular Formula
C10H12N4O4S
SMILES
C1COCCN1C(=S)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O4S/c15-14(16)9-2-1-8(18-9)7-11-12-10(19)13-3-5-17-6-4-13/h1-2,7H,3-6H2,(H,12,19)/b11-7+
InChIKey
NDDFJKNVVPFVCT-YRNVUSSQSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.05792 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06520 159.4
[M+Na]+ 307.04714 167.8
[M+NH4]+ 302.09174 165.6
[M+K]+ 323.02108 166.7
[M-H]- 283.05064 165.5
[M+Na-2H]- 305.03259 162.7
[M]+ 284.05737 162.2
[M]- 284.05847 162.2
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.