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 180.5
[M+Na]+ 375.13152 189.8
[M-H]- 351.13502 187.0
[M+NH4]+ 370.17612 190.7
[M+K]+ 391.10546 184.5
[M+H-H2O]+ 335.13956 164.4
[M+HCOO]- 397.14050 197.2
[M+CH3COO]- 411.15615 221.3
[M+Na-2H]- 373.11697 180.8
[M]+ 352.14175 178.6
[M]- 352.14285 178.6
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

patents stripe