CID 3061366

79038-94-1

Structural Information

Molecular Formula
C19H20ClNO4
SMILES
COCC1CN(C(=O)O1)C2=CC=C(C=C2)OCCC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H20ClNO4/c1-23-13-18-12-21(19(22)25-18)16-5-7-17(8-6-16)24-10-9-14-3-2-4-15(20)11-14/h2-8,11,18H,9-10,12-13H2,1H3
InChIKey
UJJQITPMXKBFPK-UHFFFAOYSA-N
Compound name
3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1081 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.115376 184.2
[M+Na]+ 384.097318 192.1
[M-H]- 360.100824 193.0
[M+NH4]+ 379.141923 196.6
[M+K]+ 400.071258 188.0
[M+H-H2O]+ 344.105360 175.4
[M+HCOO]- 406.106301 200.1
[M+CH3COO]- 420.121951 211.8
[M+Na-2H]- 382.082766 184.5
[M]+ 361.10755142 190.0
[M]- 361.10864858 190.0
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.