CID 9570285

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

Structural Information

Molecular Formula
C10H14N4O3S
SMILES
CCN(CC)C(=S)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C10H14N4O3S/c1-3-13(4-2)10(18)12-11-7-8-5-6-9(17-8)14(15)16/h5-7H,3-4H2,1-2H3,(H,12,18)/b11-7+
InChIKey
AXOKQUITRHIXGR-YRNVUSSQSA-N
Compound name
1,1-diethyl-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.07867 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08595 161.7
[M+Na]+ 293.06789 166.1
[M-H]- 269.07139 168.4
[M+NH4]+ 288.11249 178.2
[M+K]+ 309.04183 161.8
[M+H-H2O]+ 253.07593 158.2
[M+HCOO]- 315.07687 185.5
[M+CH3COO]- 329.09252 200.1
[M+Na-2H]- 291.05334 165.6
[M]+ 270.07812 163.4
[M]- 270.07922 163.4
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.