CID 206570

5-(methoxymethoxy)-2-(1-methyl-2-(methylthio)ethoxy)benzamide

Structural Information

Molecular Formula
C13H19NO4S
SMILES
CC(CSC)OC1=C(C=C(C=C1)OCOC)C(=O)N
InChI
InChI=1S/C13H19NO4S/c1-9(7-19-3)18-12-5-4-10(17-8-16-2)6-11(12)13(14)15/h4-6,9H,7-8H2,1-3H3,(H2,14,15)
InChIKey
SGUKWYNKFGDMAV-UHFFFAOYSA-N
Compound name
5-(methoxymethoxy)-2-(1-methylsulfanylpropan-2-yloxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1035 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11078 164.7
[M+Na]+ 308.09272 170.4
[M-H]- 284.09622 167.5
[M+NH4]+ 303.13732 180.3
[M+K]+ 324.06666 168.5
[M+H-H2O]+ 268.10076 157.4
[M+HCOO]- 330.10170 181.8
[M+CH3COO]- 344.11735 202.7
[M+Na-2H]- 306.07817 163.6
[M]+ 285.10295 170.8
[M]- 285.10405 170.8
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.