CID 212565

5-(methoxymethoxy)-2-(2-(phenylsulfinyl)ethoxy)benzamide

Structural Information

Molecular Formula
C17H19NO5S
SMILES
COCOC1=CC(=C(C=C1)OCCS(=O)C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C17H19NO5S/c1-21-12-23-13-7-8-16(15(11-13)17(18)19)22-9-10-24(20)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,18,19)
InChIKey
XRAGBCXSVNFPEW-UHFFFAOYSA-N
Compound name
2-[2-(benzenesulfinyl)ethoxy]-5-(methoxymethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0984 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10568 179.4
[M+Na]+ 372.08762 184.8
[M-H]- 348.09112 185.2
[M+NH4]+ 367.13222 191.8
[M+K]+ 388.06156 181.6
[M+H-H2O]+ 332.09566 170.7
[M+HCOO]- 394.09660 197.2
[M+CH3COO]- 408.11225 211.9
[M+Na-2H]- 370.07307 179.3
[M]+ 349.09785 185.1
[M]- 349.09895 185.1
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.