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]+ 346.120436 181.7
[M+Na]+ 368.102378 189.9
[M-H]- 344.105884 190.6
[M+NH4]+ 363.146983 194.9
[M+K]+ 384.076318 185.1
[M+H-H2O]+ 328.110420 173.1
[M+HCOO]- 390.111361 197.5
[M+CH3COO]- 404.127011 209.6
[M+Na-2H]- 366.087826 181.9
[M]+ 345.11261142 186.2
[M]- 345.11370858 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.