CID 58724

101670-76-2

Structural Information

Molecular Formula
C12H12N4O5
SMILES
C1C(C(=O)NO1)N=CC2=CC=C(O2)C=NC3CONC3=O
InChI
InChI=1S/C12H12N4O5/c17-11-9(5-19-15-11)13-3-7-1-2-8(21-7)4-14-10-6-20-16-12(10)18/h1-4,9-10H,5-6H2,(H,15,17)(H,16,18)
InChIKey
YHQQQLZFWMUXBP-UHFFFAOYSA-N
Compound name
4-[[5-[(3-oxo-1,2-oxazolidin-4-yl)iminomethyl]furan-2-yl]methylideneamino]-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08078 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.088056 163.2
[M+Na]+ 315.069998 168.9
[M-H]- 291.073504 172.5
[M+NH4]+ 310.114603 175.7
[M+K]+ 331.043938 169.2
[M+H-H2O]+ 275.078040 156.5
[M+HCOO]- 337.078981 184.1
[M+CH3COO]- 351.094631 200.3
[M+Na-2H]- 313.055446 163.9
[M]+ 292.08023142 162.6
[M]- 292.08132858 162.6
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.