CID 3061371

79039-02-4

Structural Information

Molecular Formula
C19H18ClNO4
SMILES
COCC1CN(C(=O)O1)C2=CC=C(C=C2)CC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H18ClNO4/c1-24-12-17-11-21(19(23)25-17)16-7-5-13(6-8-16)9-18(22)14-3-2-4-15(20)10-14/h2-8,10,17H,9,11-12H2,1H3
InChIKey
FPYYAAZRYBLGJA-UHFFFAOYSA-N
Compound name
3-[4-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.09244 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09972 183.1
[M+Na]+ 382.08166 191.0
[M-H]- 358.08516 192.2
[M+NH4]+ 377.12626 195.4
[M+K]+ 398.05560 186.9
[M+H-H2O]+ 342.08970 174.6
[M+HCOO]- 404.09064 198.2
[M+CH3COO]- 418.10629 212.0
[M+Na-2H]- 380.06711 182.4
[M]+ 359.09189 187.8
[M]- 359.09299 187.8
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.