CID 799893

64709-43-9

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.095106	162.5
[M+Na]+	306.077048	168.7
[M-H]-	282.080554	167.0
[M+NH4]+	301.121653	175.6
[M+K]+	322.050988	166.9
[M+H-H2O]+	266.085090	155.1
[M+HCOO]-	328.086031	174.3
[M+CH3COO]-	342.101681	195.2
[M+Na-2H]-	304.062496	162.7
[M]+	283.08728142	164.0
[M]-	283.08837858	164.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.