CID 206571

28169-54-2

Structural Information

Molecular Formula
C13H19NO4S
SMILES
COCOC1=CC(=C(C=C1)OCCCSC)C(=O)N
InChI
InChI=1S/C13H19NO4S/c1-16-9-18-10-4-5-12(11(8-10)13(14)15)17-6-3-7-19-2/h4-5,8H,3,6-7,9H2,1-2H3,(H2,14,15)
InChIKey
XAPSOPWBOGPUAK-UHFFFAOYSA-N
Compound name
5-(methoxymethoxy)-2-(3-methylsulfanylpropoxy)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]+ 286.11078 164.2
[M+Na]+ 308.09272 170.2
[M-H]- 284.09622 167.0
[M+NH4]+ 303.13732 179.9
[M+K]+ 324.06666 167.8
[M+H-H2O]+ 268.10076 156.8
[M+HCOO]- 330.10170 182.4
[M+CH3COO]- 344.11735 201.8
[M+Na-2H]- 306.07817 164.2
[M]+ 285.10295 171.0
[M]- 285.10405 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.