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]+ 353.149576 180.5
[M+Na]+ 375.131518 189.8
[M-H]- 351.135024 187.0
[M+NH4]+ 370.176123 190.7
[M+K]+ 391.105458 184.5
[M+H-H2O]+ 335.139560 164.4
[M+HCOO]- 397.140501 197.2
[M+CH3COO]- 411.156151 221.3
[M+Na-2H]- 373.116966 180.8
[M]+ 352.14175142 178.6
[M]- 352.14284858 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