CID 3011946

2-furancarboxamide, 5-nitro-n-[3-(phenylmethoxy)phenyl]-

Structural Information

Molecular Formula
C18H14N2O5
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O5/c21-18(16-9-10-17(25-16)20(22)23)19-14-7-4-8-15(11-14)24-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,21)
InChIKey
RCNJNHDNXGLKNZ-UHFFFAOYSA-N
Compound name
5-nitro-N-(3-phenylmethoxyphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

338.09027 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09755 176.7
[M+Na]+ 361.07949 181.1
[M-H]- 337.08299 187.2
[M+NH4]+ 356.12409 188.4
[M+K]+ 377.05343 175.0
[M+H-H2O]+ 321.08753 172.1
[M+HCOO]- 383.08847 202.4
[M+CH3COO]- 397.10412 204.1
[M+Na-2H]- 359.06494 182.7
[M]+ 338.08972 177.3
[M]- 338.09082 177.3
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.