CID 5275299

Chembl382736

Structural Information

Molecular Formula
C16H16FN3O5
SMILES
C1COCCN1C2=C(C=C(C=C2)CNC(=O)C3=CC=C(O3)[N+](=O)[O-])F
InChI
InChI=1S/C16H16FN3O5/c17-12-9-11(1-2-13(12)19-5-7-24-8-6-19)10-18-16(21)14-3-4-15(25-14)20(22)23/h1-4,9H,5-8,10H2,(H,18,21)
InChIKey
RXWHPNZQMFRATB-UHFFFAOYSA-N
Compound name
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-5-nitrofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

349.1074 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11468 178.2
[M+Na]+ 372.09662 181.7
[M-H]- 348.10012 186.2
[M+NH4]+ 367.14122 186.8
[M+K]+ 388.07056 176.5
[M+H-H2O]+ 332.10466 172.6
[M+HCOO]- 394.10560 197.1
[M+CH3COO]- 408.12125 206.2
[M+Na-2H]- 370.08207 182.2
[M]+ 349.10685 174.4
[M]- 349.10795 174.4
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.