CID 5469563

N'-[(e)-(5-nitrothiophen-2-yl)methylidene]pyridine-4-carbohydrazide

Structural Information

Molecular Formula
C11H8N4O3S
SMILES
C1=CN=CC=C1C(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N4O3S/c16-11(8-3-5-12-6-4-8)14-13-7-9-1-2-10(19-9)15(17)18/h1-7H,(H,14,16)/b13-7+
InChIKey
DMFJZTYHTIMPQK-NTUHNPAUSA-N
Compound name
N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

276.0317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03898 157.1
[M+Na]+ 299.02092 163.0
[M-H]- 275.02442 164.2
[M+NH4]+ 294.06552 172.7
[M+K]+ 314.99486 155.7
[M+H-H2O]+ 259.02896 153.0
[M+HCOO]- 321.02990 180.7
[M+CH3COO]- 335.04555 193.6
[M+Na-2H]- 297.00637 162.9
[M]+ 276.03115 156.6
[M]- 276.03225 156.6
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.