CID 6440076

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

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]+ 245.05568 152.1
[M+Na]+ 267.03762 159.0
[M-H]- 243.04112 158.5
[M+NH4]+ 262.08222 167.2
[M+K]+ 283.01156 153.2
[M+H-H2O]+ 227.04566 149.0
[M+HCOO]- 289.04660 176.5
[M+CH3COO]- 303.06225 183.5
[M+Na-2H]- 265.02307 159.1
[M]+ 244.04785 152.0
[M]- 244.04895 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.