CID 5275720

Benzeneacetonitrile, a-[3-(1-naphthalenyl)-2,4-dioxo-5-oxazolidinylidene]-

Structural Information

Molecular Formula
C21H12N2O3
SMILES
C1=CC=C(C=C1)/C(=C/2\C(=O)N(C(=O)O2)C3=CC=CC4=CC=CC=C43)/C#N
InChI
InChI=1S/C21H12N2O3/c22-13-17(15-7-2-1-3-8-15)19-20(24)23(21(25)26-19)18-12-6-10-14-9-4-5-11-16(14)18/h1-12H/b19-17+
InChIKey
PSODJKNZFBXDLU-HTXNQAPBSA-N
Compound name
(2Z)-2-(3-naphthalen-1-yl-2,4-dioxo-1,3-oxazolidin-5-ylidene)-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.08478 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09206 184.8
[M+Na]+ 363.07400 195.9
[M-H]- 339.07750 192.1
[M+NH4]+ 358.11860 196.0
[M+K]+ 379.04794 187.1
[M+H-H2O]+ 323.08204 169.0
[M+HCOO]- 385.08298 199.9
[M+CH3COO]- 399.09863 193.8
[M+Na-2H]- 361.05945 185.2
[M]+ 340.08423 178.8
[M]- 340.08533 178.8
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.