CID 6435311

63421-89-6

Structural Information

Molecular Formula
C15H12N2O5
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C15H12N2O5/c1-10(18)16-12-4-2-11(3-5-12)14(19)8-6-13-7-9-15(22-13)17(20)21/h2-9H,1H3,(H,16,18)/b8-6+
InChIKey
KVBKFTCRNIBDDT-SOFGYWHQSA-N
Compound name
N-[4-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07462 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08190 166.8
[M+Na]+ 323.06384 177.6
[M+NH4]+ 318.10844 172.2
[M+K]+ 339.03778 177.6
[M-H]- 299.06734 171.2
[M+Na-2H]- 321.04929 171.4
[M]+ 300.07407 169.1
[M]- 300.07517 169.1
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.