CID 3054040

Brn 0572922

Structural Information

Molecular Formula
C15H19NO6S
SMILES
COC1=CC(=CC(=C1OCC(=O)O)OC)C(=S)N2CCOCC2
InChI
InChI=1S/C15H19NO6S/c1-19-11-7-10(15(23)16-3-5-21-6-4-16)8-12(20-2)14(11)22-9-13(17)18/h7-8H,3-6,9H2,1-2H3,(H,17,18)
InChIKey
GCNSXNZMGIAEDO-UHFFFAOYSA-N
Compound name
2-[2,6-dimethoxy-4-(morpholine-4-carbothioyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.09332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10060 176.0
[M+Na]+ 364.08254 185.5
[M+NH4]+ 359.12714 181.0
[M+K]+ 380.05648 180.4
[M-H]- 340.08604 177.8
[M+Na-2H]- 362.06799 178.5
[M]+ 341.09277 178.0
[M]- 341.09387 178.0
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.