CID 5349240

1-(2-naphthalenyl)-3-(5-nitro-2-furanyl)-2-propen-1-one

Structural Information

Molecular Formula
C17H11NO4
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C17H11NO4/c19-16(9-7-15-8-10-17(22-15)18(20)21)14-6-5-12-3-1-2-4-13(12)11-14/h1-11H/b9-7+
InChIKey
BZXVNPJFJCGCML-VQHVLOKHSA-N
Compound name
(E)-1-naphthalen-2-yl-3-(5-nitrofuran-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06882 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07610 163.4
[M+Na]+ 316.05804 178.9
[M+NH4]+ 311.10264 171.4
[M+K]+ 332.03198 175.9
[M-H]- 292.06154 170.0
[M+Na-2H]- 314.04349 171.1
[M]+ 293.06827 167.4
[M]- 293.06937 167.4
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.