CID 212565

24570-05-6

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]+ 350.105676 179.4
[M+Na]+ 372.087618 184.8
[M-H]- 348.091124 185.2
[M+NH4]+ 367.132223 191.8
[M+K]+ 388.061558 181.6
[M+H-H2O]+ 332.095660 170.7
[M+HCOO]- 394.096601 197.2
[M+CH3COO]- 408.112251 211.9
[M+Na-2H]- 370.073066 179.3
[M]+ 349.09785142 185.1
[M]- 349.09894858 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.