CID 129805

Md 770222

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]+ 325.118276 174.0
[M+Na]+ 347.100218 183.6
[M-H]- 323.103724 179.6
[M+NH4]+ 342.144823 184.6
[M+K]+ 363.074158 178.1
[M+H-H2O]+ 307.108260 158.5
[M+HCOO]- 369.109201 189.9
[M+CH3COO]- 383.124851 213.9
[M+Na-2H]- 345.085666 174.8
[M]+ 324.11045142 169.9
[M]- 324.11154858 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.