CID 37195

2-(3,4,5-trimethoxythiobenzoyl)isoxazolidine

Structural Information

Molecular Formula
C13H17NO4S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=S)N2CCCO2
InChI
InChI=1S/C13H17NO4S/c1-15-10-7-9(8-11(16-2)12(10)17-3)13(19)14-5-4-6-18-14/h7-8H,4-6H2,1-3H3
InChIKey
LCRAPMXTTIIICC-UHFFFAOYSA-N
Compound name
1,2-oxazolidin-2-yl-(3,4,5-trimethoxyphenyl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.08783 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 163.9
[M+Na]+ 306.07705 174.6
[M+NH4]+ 301.12165 170.9
[M+K]+ 322.05099 169.8
[M-H]- 282.08055 167.0
[M+Na-2H]- 304.06250 167.4
[M]+ 283.08728 166.6
[M]- 283.08838 166.6
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

patents stripe