CID 3070913

87081-34-3

Structural Information

Molecular Formula
C20H21NO5
SMILES
CC1C(OC(=O)N1CCC2(OC3=CC=CC=C3O2)C)C4=CC=C(C=C4)O
InChI
InChI=1S/C20H21NO5/c1-13-18(14-7-9-15(22)10-8-14)24-19(23)21(13)12-11-20(2)25-16-5-3-4-6-17(16)26-20/h3-10,13,18,22H,11-12H2,1-2H3
InChIKey
OMSWZNQWSWGCSB-UHFFFAOYSA-N
Compound name
5-(4-hydroxyphenyl)-4-methyl-3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.14197 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 180.5
[M+Na]+ 378.13119 193.3
[M+NH4]+ 373.17579 188.6
[M+K]+ 394.10513 190.2
[M-H]- 354.13469 188.2
[M+Na-2H]- 376.11664 185.2
[M]+ 355.14142 184.7
[M]- 355.14252 184.7
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.