CID 6435311

74470-59-0

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]+ 301.081896 168.2
[M+Na]+ 323.063838 173.5
[M-H]- 299.067344 175.8
[M+NH4]+ 318.108443 182.0
[M+K]+ 339.037778 167.6
[M+H-H2O]+ 283.071880 165.2
[M+HCOO]- 345.072821 193.2
[M+CH3COO]- 359.088471 197.2
[M+Na-2H]- 321.049286 172.4
[M]+ 300.07407142 168.3
[M]- 300.07516858 168.3
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.