CID 212564

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

Structural Information

Molecular Formula
C17H19NO4S
SMILES
COCOC1=CC(=C(C=C1)OCCSC2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C17H19NO4S/c1-20-12-22-13-7-8-16(15(11-13)17(18)19)21-9-10-23-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,18,19)
InChIKey
WSVIPJISDRDDDG-UHFFFAOYSA-N
Compound name
5-(methoxymethoxy)-2-(2-phenylsulfanylethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1035 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11078 176.5
[M+Na]+ 356.09272 182.2
[M-H]- 332.09622 182.3
[M+NH4]+ 351.13732 189.8
[M+K]+ 372.06666 178.4
[M+H-H2O]+ 316.10076 167.8
[M+HCOO]- 378.10170 195.0
[M+CH3COO]- 392.11735 209.5
[M+Na-2H]- 354.07817 177.3
[M]+ 333.10295 182.1
[M]- 333.10405 182.1
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.