CID 3011943

Chembl189140

Structural Information

Molecular Formula
C14H14N2O5
SMILES
COC1=CC=C(C=C1)CCNC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C14H14N2O5/c1-20-11-4-2-10(3-5-11)8-9-15-14(17)12-6-7-13(21-12)16(18)19/h2-7H,8-9H2,1H3,(H,15,17)
InChIKey
TVOVCAIQQBBYGS-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxyphenyl)ethyl]-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

290.09027 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09755 164.9
[M+Na]+ 313.07949 170.2
[M-H]- 289.08299 172.5
[M+NH4]+ 308.12409 179.2
[M+K]+ 329.05343 165.2
[M+H-H2O]+ 273.08753 161.7
[M+HCOO]- 335.08847 190.8
[M+CH3COO]- 349.10412 196.0
[M+Na-2H]- 311.06494 170.7
[M]+ 290.08972 166.7
[M]- 290.09082 166.7
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.