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 175.7
[M+Na]+ 364.08254 180.4
[M-H]- 340.08604 179.8
[M+NH4]+ 359.12714 185.9
[M+K]+ 380.05648 179.4
[M+H-H2O]+ 324.09058 167.7
[M+HCOO]- 386.09152 186.4
[M+CH3COO]- 400.10717 205.8
[M+Na-2H]- 362.06799 174.5
[M]+ 341.09277 179.5
[M]- 341.09387 179.5
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.