CID 129805

3-((4-(5-(hydroxymethyl)-2-oxo-3-oxazolidinyl)phenoxy)methyl)benzonitrile

Structural Information

Molecular Formula
C18H16N2O4
SMILES
C1C(OC(=O)N1C2=CC=C(C=C2)OCC3=CC(=CC=C3)C#N)CO
InChI
InChI=1S/C18H16N2O4/c19-9-13-2-1-3-14(8-13)12-23-16-6-4-15(5-7-16)20-10-17(11-21)24-18(20)22/h1-8,17,21H,10-12H2
InChIKey
PICCEPOEDPVTBS-UHFFFAOYSA-N
Compound name
3-[[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

324.111 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 176.2
[M+Na]+ 347.10022 188.6
[M+NH4]+ 342.14482 179.2
[M+K]+ 363.07416 180.7
[M-H]- 323.10372 173.5
[M+Na-2H]- 345.08567 179.6
[M]+ 324.11045 176.3
[M]- 324.11155 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.