CID 6440076

2-propen-1-one, 3-(5-nitro-2-furyl)-1-(4-pyridyl)-

Structural Information

Molecular Formula
C12H8N2O4
SMILES
C1=CN=CC=C1C(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O4/c15-11(9-5-7-13-8-6-9)3-1-10-2-4-12(18-10)14(16)17/h1-8H/b3-1+
InChIKey
PZNATEXTAXWHMN-HNQUOIGGSA-N
Compound name
(E)-3-(5-nitrofuran-2-yl)-1-pyridin-4-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0484 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.055676 152.1
[M+Na]+ 267.037618 159.0
[M-H]- 243.041124 158.5
[M+NH4]+ 262.082223 167.2
[M+K]+ 283.011558 153.2
[M+H-H2O]+ 227.045660 149.0
[M+HCOO]- 289.046601 176.5
[M+CH3COO]- 303.062251 183.5
[M+Na-2H]- 265.023066 159.1
[M]+ 244.04785142 152.0
[M]- 244.04894858 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.