CID 3051887

68061-01-8

Structural Information

Molecular Formula
C14H20N2O4S
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)N2CCSCC2
InChI
InChI=1S/C14H20N2O4S/c1-18-11-8-10(9-12(19-2)13(11)20-3)15-14(17)16-4-6-21-7-5-16/h8-9H,4-7H2,1-3H3,(H,15,17)
InChIKey
MQDXQALRIDFMTK-UHFFFAOYSA-N
Compound name
N-(3,4,5-trimethoxyphenyl)thiomorpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.11438 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12166 170.2
[M+Na]+ 335.10360 180.1
[M+NH4]+ 330.14820 176.9
[M+K]+ 351.07754 173.1
[M-H]- 311.10710 172.9
[M+Na-2H]- 333.08905 175.0
[M]+ 312.11383 172.6
[M]- 312.11493 172.6
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.