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]+ 286.110776 164.7
[M+Na]+ 308.092718 170.4
[M-H]- 284.096224 167.5
[M+NH4]+ 303.137323 180.3
[M+K]+ 324.066658 168.5
[M+H-H2O]+ 268.100760 157.4
[M+HCOO]- 330.101701 181.8
[M+CH3COO]- 344.117351 202.7
[M+Na-2H]- 306.078166 163.6
[M]+ 285.10295142 170.8
[M]- 285.10404858 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.