CID 3040639

Brn 0552449

Structural Information

Molecular Formula
C13H17NO4S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=S)N2CCOC2
InChI
InChI=1S/C13H17NO4S/c1-15-10-6-9(7-11(16-2)12(10)17-3)13(19)14-4-5-18-8-14/h6-7H,4-5,8H2,1-3H3
InChIKey
CDHCELLJCCYFNL-UHFFFAOYSA-N
Compound name
1,3-oxazolidin-3-yl-(3,4,5-trimethoxyphenyl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08783 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.095106 163.1
[M+Na]+ 306.077048 170.9
[M-H]- 282.080554 169.6
[M+NH4]+ 301.121653 179.0
[M+K]+ 322.050988 170.0
[M+H-H2O]+ 266.085090 156.4
[M+HCOO]- 328.086031 178.7
[M+CH3COO]- 342.101681 197.0
[M+Na-2H]- 304.062496 162.1
[M]+ 283.08728142 168.8
[M]- 283.08837858 168.8
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.