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]+ 293.08806 163.2
[M+Na]+ 315.07000 168.9
[M-H]- 291.07350 172.5
[M+NH4]+ 310.11460 175.7
[M+K]+ 331.04394 169.2
[M+H-H2O]+ 275.07804 156.5
[M+HCOO]- 337.07898 184.1
[M+CH3COO]- 351.09463 200.3
[M+Na-2H]- 313.05545 163.9
[M]+ 292.08023 162.6
[M]- 292.08133 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.