CID 9554021

92297-09-1

Structural Information

Molecular Formula
C14H16N4O7
SMILES
C1COCCN1CC2CN(C(=O)O2)/N=C/C(=O)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C14H16N4O7/c19-11(12-1-2-13(25-12)18(21)22)7-15-17-9-10(24-14(17)20)8-16-3-5-23-6-4-16/h1-2,7,10H,3-6,8-9H2/b15-7+
InChIKey
GKKMZQDANLBXRO-VIZOYTHASA-N
Compound name
5-(morpholin-4-ylmethyl)-3-[(E)-[2-(5-nitrofuran-2-yl)-2-oxoethylidene]amino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1019 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.109176 179.0
[M+Na]+ 375.091118 181.5
[M-H]- 351.094624 188.7
[M+NH4]+ 370.135723 186.8
[M+K]+ 391.065058 179.2
[M+H-H2O]+ 335.099160 175.2
[M+HCOO]- 397.100101 197.2
[M+CH3COO]- 411.115751 207.2
[M+Na-2H]- 373.076566 182.0
[M]+ 352.10135142 177.5
[M]- 352.10244858 177.5
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.