CID 3046898

5-(o-phenylbenzyl)-2-oxazolidone

Structural Information

Molecular Formula
C16H15NO2
SMILES
C1C(OC(=O)N1)CC2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C16H15NO2/c18-16-17-11-14(19-16)10-13-8-4-5-9-15(13)12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,17,18)
InChIKey
HMVMYZNQDAULCR-UHFFFAOYSA-N
Compound name
5-[(2-phenylphenyl)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.11028 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 156.9
[M+Na]+ 276.09950 163.6
[M-H]- 252.10300 164.5
[M+NH4]+ 271.14410 171.8
[M+K]+ 292.07344 159.6
[M+H-H2O]+ 236.10754 148.7
[M+HCOO]- 298.10848 176.8
[M+CH3COO]- 312.12413 168.6
[M+Na-2H]- 274.08495 160.4
[M]+ 253.10973 154.2
[M]- 253.11083 154.2
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

patents stripe