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 178.6
[M+Na]+ 364.07110 190.3
[M-H]- 340.07460 184.3
[M+NH4]+ 359.11570 190.3
[M+K]+ 380.04504 182.0
[M+H-H2O]+ 324.07914 164.1
[M+HCOO]- 386.08008 189.2
[M+CH3COO]- 400.09573 188.0
[M+Na-2H]- 362.05655 178.0
[M]+ 341.08133 176.2
[M]- 341.08243 176.2
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