CID 3061367

79038-97-4

Structural Information

Molecular Formula
C20H20N2O4
SMILES
COCC1CN(C(=O)O1)C2=CC=C(C=C2)OCCC3=CC(=CC=C3)C#N
InChI
InChI=1S/C20H20N2O4/c1-24-14-19-13-22(20(23)26-19)17-5-7-18(8-6-17)25-10-9-15-3-2-4-16(11-15)12-21/h2-8,11,19H,9-10,13-14H2,1H3
InChIKey
XPIZFMWARFTBJF-UHFFFAOYSA-N
Compound name
3-[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]ethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.1423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14958 183.6
[M+Na]+ 375.13152 196.1
[M+NH4]+ 370.17612 186.6
[M+K]+ 391.10546 187.6
[M-H]- 351.13502 181.2
[M+Na-2H]- 373.11697 187.1
[M]+ 352.14175 183.8
[M]- 352.14285 183.8
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

patents stripe