CID 5275718

Benzeneacetonitrile, a-(2,4-dioxo-3-phenyl-5-oxazolidinylidene)-

Structural Information

Molecular Formula
C17H10N2O3
SMILES
C1=CC=C(C=C1)/C(=C/2\C(=O)N(C(=O)O2)C3=CC=CC=C3)/C#N
InChI
InChI=1S/C17H10N2O3/c18-11-14(12-7-3-1-4-8-12)15-16(20)19(17(21)22-15)13-9-5-2-6-10-13/h1-10H/b15-14+
InChIKey
ODNOHXGMTZQDKE-CCEZHUSRSA-N
Compound name
(2Z)-2-(2,4-dioxo-3-phenyl-1,3-oxazolidin-5-ylidene)-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.06915 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.076426 169.0
[M+Na]+ 313.058368 179.2
[M-H]- 289.061874 175.7
[M+NH4]+ 308.102973 181.1
[M+K]+ 329.032308 173.0
[M+H-H2O]+ 273.066410 153.5
[M+HCOO]- 335.067351 185.7
[M+CH3COO]- 349.083001 178.9
[M+Na-2H]- 311.043816 169.8
[M]+ 290.06860142 162.6
[M]- 290.06969858 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.