CID 3061362

79038-53-2

Structural Information

Molecular Formula
C19H16ClNO3
SMILES
COCC1CN(C(=O)O1)C2=CC=C(C=C2)C#CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H16ClNO3/c1-23-13-18-12-21(19(22)24-18)17-9-7-14(8-10-17)5-6-15-3-2-4-16(20)11-15/h2-4,7-11,18H,12-13H2,1H3
InChIKey
CVIAUPDQJCINHE-UHFFFAOYSA-N
Compound name
3-[4-[2-(3-chlorophenyl)ethynyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.08188 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.08916 176.5
[M+Na]+ 364.07110 191.1
[M+NH4]+ 359.11570 180.7
[M+K]+ 380.04504 181.5
[M-H]- 340.07460 174.1
[M+Na-2H]- 362.05655 180.6
[M]+ 341.08133 177.4
[M]- 341.08243 177.4
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