CID 211833

23598-58-5

Structural Information

Molecular Formula
C20H19NO3
SMILES
C#CCOCC1CN(C(=O)O1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H19NO3/c1-2-13-23-15-18-14-21(20(22)24-18)19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h1,3-12,18-19H,13-15H2
InChIKey
CFZHWUKHPOMYNW-UHFFFAOYSA-N
Compound name
3-benzhydryl-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 177.4
[M+Na]+ 344.12572 190.1
[M+NH4]+ 339.17032 181.0
[M+K]+ 360.09966 181.3
[M-H]- 320.12922 174.5
[M+Na-2H]- 342.11117 181.2
[M]+ 321.13595 177.6
[M]- 321.13705 177.6
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

No patent data available for this compound.