CID 774021

N-(4-morpholin-4-ylphenyl)-5-nitrofuran-2-carboxamide

Structural Information

Molecular Formula
C15H15N3O5
SMILES
C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C15H15N3O5/c19-15(13-5-6-14(23-13)18(20)21)16-11-1-3-12(4-2-11)17-7-9-22-10-8-17/h1-6H,7-10H2,(H,16,19)
InChIKey
JLCLIYUCWWGCAB-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-ylphenyl)-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

12
Patents

317.10117 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10845 170.2
[M+Na]+ 340.09039 173.2
[M-H]- 316.09389 179.4
[M+NH4]+ 335.13499 179.9
[M+K]+ 356.06433 168.7
[M+H-H2O]+ 300.09843 165.5
[M+HCOO]- 362.09937 190.5
[M+CH3COO]- 376.11502 199.4
[M+Na-2H]- 338.07584 175.9
[M]+ 317.10062 166.7
[M]- 317.10172 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.