CID 799893

Brn 0538295

Structural Information

Molecular Formula
C13H17NO4S
SMILES
COC1=CC(=CC(=C1O)OC)C(=S)N2CCOCC2
InChI
InChI=1S/C13H17NO4S/c1-16-10-7-9(8-11(17-2)12(10)15)13(19)14-3-5-18-6-4-14/h7-8,15H,3-6H2,1-2H3
InChIKey
ALPABHREUMPPOX-UHFFFAOYSA-N
Compound name
(4-hydroxy-3,5-dimethoxyphenyl)-morpholin-4-ylmethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

283.08783 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 162.5
[M+Na]+ 306.07705 168.7
[M-H]- 282.08055 167.0
[M+NH4]+ 301.12165 175.6
[M+K]+ 322.05099 166.9
[M+H-H2O]+ 266.08509 155.1
[M+HCOO]- 328.08603 174.3
[M+CH3COO]- 342.10168 195.2
[M+Na-2H]- 304.06250 162.7
[M]+ 283.08728 164.0
[M]- 283.08838 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.