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
1
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]+ 243.05464 152.3
[M+Na]+ 265.03658 157.7
[M-H]- 241.04008 159.4
[M+NH4]+ 260.08118 169.9
[M+K]+ 281.01052 153.8
[M+H-H2O]+ 225.04462 149.2
[M+HCOO]- 287.04556 176.8
[M+CH3COO]- 301.06121 194.1
[M+Na-2H]- 263.02203 157.2
[M]+ 242.04681 153.3
[M]- 242.04791 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.