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 176.1
[M+Na]+ 344.12572 184.4
[M-H]- 320.12922 180.9
[M+NH4]+ 339.17032 186.7
[M+K]+ 360.09966 177.7
[M+H-H2O]+ 304.13376 160.5
[M+HCOO]- 366.13470 189.5
[M+CH3COO]- 380.15035 211.3
[M+Na-2H]- 342.11117 175.6
[M]+ 321.13595 170.7
[M]- 321.13705 170.7
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.