CID 3061363

3-(2-(4-(5-(methoxymethyl)-2-oxo-3-oxazolidinyl)phenyl)ethyl)benzonitrile

Structural Information

Molecular Formula
C20H20N2O3
SMILES
COCC1CN(C(=O)O1)C2=CC=C(C=C2)CCC3=CC(=CC=C3)C#N
InChI
InChI=1S/C20H20N2O3/c1-24-14-19-13-22(20(23)25-19)18-9-7-15(8-10-18)5-6-16-3-2-4-17(11-16)12-21/h2-4,7-11,19H,5-6,13-14H2,1H3
InChIKey
YCCDCAYHENABQN-UHFFFAOYSA-N
Compound name
3-[2-[4-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]ethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 180.9
[M+Na]+ 359.13662 193.9
[M+NH4]+ 354.18122 184.5
[M+K]+ 375.11056 184.9
[M-H]- 335.14012 179.0
[M+Na-2H]- 357.12207 184.8
[M]+ 336.14685 181.4
[M]- 336.14795 181.4
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.