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]+ 291.07643 169.0
[M+Na]+ 313.05837 179.2
[M-H]- 289.06187 175.7
[M+NH4]+ 308.10297 181.1
[M+K]+ 329.03231 173.0
[M+H-H2O]+ 273.06641 153.5
[M+HCOO]- 335.06735 185.7
[M+CH3COO]- 349.08300 178.9
[M+Na-2H]- 311.04382 169.8
[M]+ 290.06860 162.6
[M]- 290.06970 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.