CID 212563

24570-03-4

Structural Information

Molecular Formula
C12H17NO4S
SMILES
COCOC1=CC(=C(C=C1)OCCSC)C(=O)N
InChI
InChI=1S/C12H17NO4S/c1-15-8-17-9-3-4-11(16-5-6-18-2)10(7-9)12(13)14/h3-4,7H,5-6,8H2,1-2H3,(H2,13,14)
InChIKey
QONVLMJDZXOUMH-UHFFFAOYSA-N
Compound name
5-(methoxymethoxy)-2-(2-methylsulfanylethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08783 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09511 160.5
[M+Na]+ 294.07705 170.1
[M+NH4]+ 289.12165 167.1
[M+K]+ 310.05099 163.2
[M-H]- 270.08055 161.5
[M+Na-2H]- 292.06250 164.2
[M]+ 271.08728 162.3
[M]- 271.08838 162.3
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.