CID 9578409

14052-71-2

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 161.6
[M+Na]+ 307.04714 165.2
[M-H]- 283.05064 169.0
[M+NH4]+ 302.09174 174.1
[M+K]+ 323.02108 160.8
[M+H-H2O]+ 267.05518 158.0
[M+HCOO]- 329.05612 179.9
[M+CH3COO]- 343.07177 193.8
[M+Na-2H]- 305.03259 166.8
[M]+ 284.05737 158.9
[M]- 284.05847 158.9
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.