CID 9580204

N'-[(e)-(5-nitrothiophen-2-yl)methylidene]benzohydrazide

Structural Information

Molecular Formula
C12H9N3O3S
SMILES
C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O3S/c16-12(9-4-2-1-3-5-9)14-13-8-10-6-7-11(19-10)15(17)18/h1-8H,(H,14,16)/b13-8+
InChIKey
BVWZRKIGXVLBJV-MDWZMJQESA-N
Compound name
N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

275.03647 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04375 158.9
[M+Na]+ 298.02569 164.4
[M-H]- 274.02919 167.1
[M+NH4]+ 293.07029 175.8
[M+K]+ 313.99963 157.0
[M+H-H2O]+ 258.03373 155.4
[M+HCOO]- 320.03467 183.3
[M+CH3COO]- 334.05032 194.0
[M+Na-2H]- 296.01114 163.8
[M]+ 275.03592 158.4
[M]- 275.03702 158.4
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.