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]+ 272.095106 159.8
[M+Na]+ 294.077048 166.3
[M-H]- 270.080554 162.8
[M+NH4]+ 289.121653 176.1
[M+K]+ 310.050988 164.0
[M+H-H2O]+ 254.085090 152.6
[M+HCOO]- 316.086031 178.3
[M+CH3COO]- 330.101681 198.8
[M+Na-2H]- 292.062496 160.3
[M]+ 271.08728142 166.2
[M]- 271.08837858 166.2
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.