CID 206569

Benzamide, 5-(methoxymethoxy)-2-(2-(ethylthio)ethoxy)-

Structural Information

Molecular Formula
C13H19NO4S
SMILES
CCSCCOC1=C(C=C(C=C1)OCOC)C(=O)N
InChI
InChI=1S/C13H19NO4S/c1-3-19-7-6-17-12-5-4-10(18-9-16-2)8-11(12)13(14)15/h4-5,8H,3,6-7,9H2,1-2H3,(H2,14,15)
InChIKey
FIJHNGKINARMTD-UHFFFAOYSA-N
Compound name
2-(2-ethylsulfanylethoxy)-5-(methoxymethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1035 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.110776 164.2
[M+Na]+ 308.092718 170.2
[M-H]- 284.096224 167.0
[M+NH4]+ 303.137323 179.9
[M+K]+ 324.066658 167.8
[M+H-H2O]+ 268.100760 156.8
[M+HCOO]- 330.101701 182.4
[M+CH3COO]- 344.117351 201.8
[M+Na-2H]- 306.078166 164.2
[M]+ 285.10295142 171.0
[M]- 285.10404858 171.0
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.