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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.065196	161.6
[M+Na]+	307.047138	165.2
[M-H]-	283.050644	169.0
[M+NH4]+	302.091743	174.1
[M+K]+	323.021078	160.8
[M+H-H2O]+	267.055180	158.0
[M+HCOO]-	329.056121	179.9
[M+CH3COO]-	343.071771	193.8
[M+Na-2H]-	305.032586	166.8
[M]+	284.05737142	158.9
[M]-	284.05846858	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.