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]+ 353.10918 179.0
[M+Na]+ 375.09112 181.5
[M-H]- 351.09462 188.7
[M+NH4]+ 370.13572 186.8
[M+K]+ 391.06506 179.2
[M+H-H2O]+ 335.09916 175.2
[M+HCOO]- 397.10010 197.2
[M+CH3COO]- 411.11575 207.2
[M+Na-2H]- 373.07657 182.0
[M]+ 352.10135 177.5
[M]- 352.10245 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.