CID 129805

70133-35-6

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 174.0
[M+Na]+ 347.10022 183.6
[M-H]- 323.10372 179.6
[M+NH4]+ 342.14482 184.6
[M+K]+ 363.07416 178.1
[M+H-H2O]+ 307.10826 158.5
[M+HCOO]- 369.10920 189.9
[M+CH3COO]- 383.12485 213.9
[M+Na-2H]- 345.08567 174.8
[M]+ 324.11045 169.9
[M]- 324.11155 169.9
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.