CID 135429862

Ebifuramin

Structural Information

Molecular Formula
C19H22N4O7
SMILES
CCOC(=O)C1=CNC2=C(C1=O)C=C(O2)/C=N/N3CC(OC3=O)CN4CCOCC4
InChI
InChI=1S/C19H22N4O7/c1-2-28-18(25)15-9-20-17-14(16(15)24)7-12(29-17)8-21-23-11-13(30-19(23)26)10-22-3-5-27-6-4-22/h7-9,13H,2-6,10-11H2,1H3,(H,20,24)/b21-8+
InChIKey
KJBJCWYPEPHOKQ-ODCIPOBUSA-N
Compound name
ethyl 2-[(E)-[5-(morpholin-4-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]iminomethyl]-4-oxo-7H-furo[2,3-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.14883 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.15611 195.2
[M+Na]+ 441.13805 201.4
[M-H]- 417.14155 204.0
[M+NH4]+ 436.18265 200.9
[M+K]+ 457.11199 201.1
[M+H-H2O]+ 401.14609 186.4
[M+HCOO]- 463.14703 209.6
[M+CH3COO]- 477.16268 224.7
[M+Na-2H]- 439.12350 193.8
[M]+ 418.14828 199.0
[M]- 418.14938 199.0
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.