CID 3039677

Brn 1167570

Structural Information

Molecular Formula
C16H21NO6S
SMILES
CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)N2CCSCC2)OC
InChI
InChI=1S/C16H21NO6S/c1-4-22-16(19)23-14-12(20-2)9-11(10-13(14)21-3)15(18)17-5-7-24-8-6-17/h9-10H,4-8H2,1-3H3
InChIKey
DCESASHHEPMRJE-UHFFFAOYSA-N
Compound name
[2,6-dimethoxy-4-(thiomorpholine-4-carbonyl)phenyl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.10895 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11623 179.9
[M+Na]+ 378.09817 189.3
[M+NH4]+ 373.14277 185.2
[M+K]+ 394.07211 183.4
[M-H]- 354.10167 180.8
[M+Na-2H]- 376.08362 183.2
[M]+ 355.10840 181.6
[M]- 355.10950 181.6
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

No patent data available for this compound.