CID 44147056

2-oxazolidone, 3-(p-nitrobenzylideneamino)-

Structural Information

Molecular Formula
C10H9N3O4
SMILES
C1COC(=O)N1/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O4/c14-10-12(5-6-17-10)11-7-8-1-3-9(4-2-8)13(15)16/h1-4,7H,5-6H2/b11-7+
InChIKey
JGKYJQBJCFHXMT-YRNVUSSQSA-N
Compound name
3-[(E)-(4-nitrophenyl)methylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.05931 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06659 148.2
[M+Na]+ 258.04853 154.6
[M-H]- 234.05203 155.7
[M+NH4]+ 253.09313 164.2
[M+K]+ 274.02247 149.9
[M+H-H2O]+ 218.05657 144.9
[M+HCOO]- 280.05751 173.9
[M+CH3COO]- 294.07316 186.1
[M+Na-2H]- 256.03398 155.9
[M]+ 235.05876 146.7
[M]- 235.05986 146.7
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

patents stripe