CID 9567572

3-[(e)-(4-nitrothiazol-2-yl)methyleneamino]oxazolidin-2-one

Structural Information

Molecular Formula
C7H6N4O4S
SMILES
C1COC(=O)N1/N=C/C2=NC(=CS2)[N+](=O)[O-]
InChI
InChI=1S/C7H6N4O4S/c12-7-10(1-2-15-7)8-3-6-9-5(4-16-6)11(13)14/h3-4H,1-2H2/b8-3+
InChIKey
XXGUBYFWHSYZQJ-FPYGCLRLSA-N
Compound name
3-[(E)-(4-nitro-1,3-thiazol-2-yl)methylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.01097 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01825 149.2
[M+Na]+ 265.00019 156.8
[M-H]- 241.00369 156.2
[M+NH4]+ 260.04479 165.9
[M+K]+ 280.97413 152.4
[M+H-H2O]+ 225.00823 146.5
[M+HCOO]- 287.00917 170.2
[M+CH3COO]- 301.02482 183.9
[M+Na-2H]- 262.98564 153.4
[M]+ 242.01042 149.4
[M]- 242.01152 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.