CID 9570286

2-furaldehyde, 5-nitro-, 4,4-dimethyl-3-thiosemicarbazone

Structural Information

Molecular Formula
C8H10N4O3S
SMILES
CN(C)C(=S)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C8H10N4O3S/c1-11(2)8(16)10-9-5-6-3-4-7(15-6)12(13)14/h3-5H,1-2H3,(H,10,16)/b9-5+
InChIKey
CWSFSUPASHHZKE-WEVVVXLNSA-N
Compound name
1,1-dimethyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

242.04736 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.054636 152.3
[M+Na]+ 265.036578 157.7
[M-H]- 241.040084 159.4
[M+NH4]+ 260.081183 169.9
[M+K]+ 281.010518 153.8
[M+H-H2O]+ 225.044620 149.2
[M+HCOO]- 287.045561 176.8
[M+CH3COO]- 301.061211 194.1
[M+Na-2H]- 263.022026 157.2
[M]+ 242.04681142 153.3
[M]- 242.04790858 153.3
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.