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 168.2
[M+Na]+ 323.06384 173.5
[M-H]- 299.06734 175.8
[M+NH4]+ 318.10844 182.0
[M+K]+ 339.03778 167.6
[M+H-H2O]+ 283.07188 165.2
[M+HCOO]- 345.07282 193.2
[M+CH3COO]- 359.08847 197.2
[M+Na-2H]- 321.04929 172.4
[M]+ 300.07407 168.3
[M]- 300.07517 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.