CID 390241

Nsc687533

Structural Information

Molecular Formula
C22H27NO6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCC2CN(C(O2)(C)C)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C22H27NO6S/c1-17-9-11-20(12-10-17)30(25,26)28-14-13-19-15-23(22(2,3)29-19)21(24)27-16-18-7-5-4-6-8-18/h4-12,19H,13-16H2,1-3H3
InChIKey
DLKXMLAAIHDLTB-UHFFFAOYSA-N
Compound name
benzyl 2,2-dimethyl-5-[2-(4-methylphenyl)sulfonyloxyethyl]-1,3-oxazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1559 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.16318 201.7
[M+Na]+ 456.14512 208.0
[M-H]- 432.14862 210.7
[M+NH4]+ 451.18972 212.7
[M+K]+ 472.11906 206.2
[M+H-H2O]+ 416.15316 194.0
[M+HCOO]- 478.15410 215.0
[M+CH3COO]- 492.16975 221.9
[M+Na-2H]- 454.13057 202.0
[M]+ 433.15535 209.1
[M]- 433.15645 209.1
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.