CID 3061370

79039-01-3

Structural Information

Molecular Formula
C19H20ClNO3
SMILES
COCC1CN(C(=O)O1)C2=CC=C(C=C2)CCC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H20ClNO3/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,5-6,12-13H2,1H3
InChIKey
QMDZLRHECGUUPL-UHFFFAOYSA-N
Compound name
3-[4-[2-(3-chlorophenyl)ethyl]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.11316 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12044 181.7
[M+Na]+ 368.10238 189.9
[M-H]- 344.10588 190.6
[M+NH4]+ 363.14698 194.9
[M+K]+ 384.07632 185.1
[M+H-H2O]+ 328.11042 173.1
[M+HCOO]- 390.11136 197.5
[M+CH3COO]- 404.12701 209.6
[M+Na-2H]- 366.08783 181.9
[M]+ 345.11261 186.2
[M]- 345.11371 186.2
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

No patent data available for this compound.