CID 6446613

3-(5-nitro-2-furyl)-1-(2-pyridyl)-2-propen-1-one

Structural Information

Molecular Formula
C12H8N2O4
SMILES
C1=CC=NC(=C1)C(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O4/c15-11(10-3-1-2-8-13-10)6-4-9-5-7-12(18-9)14(16)17/h1-8H/b6-4+
InChIKey
CODROYJEXONCBO-GQCTYLIASA-N
Compound name
(E)-3-(5-nitrofuran-2-yl)-1-pyridin-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0484 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05568 150.6
[M+Na]+ 267.03762 163.6
[M+NH4]+ 262.08222 157.2
[M+K]+ 283.01156 162.7
[M-H]- 243.04112 155.0
[M+Na-2H]- 265.02307 157.0
[M]+ 244.04785 153.4
[M]- 244.04895 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.