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

literature stripe

Patent stripe

patents stripe