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

literature stripe

Patent stripe

patents stripe