CID 206573

28169-56-4

Structural Information

Molecular Formula
C18H21NO4S
SMILES
COCOC1=CC(=C(C=C1)OCCSCC2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C18H21NO4S/c1-21-13-23-15-7-8-17(16(11-15)18(19)20)22-9-10-24-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H2,19,20)
InChIKey
VOLIAKFCIKUIBZ-UHFFFAOYSA-N
Compound name
2-(2-benzylsulfanylethoxy)-5-(methoxymethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.11914 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12642 180.8
[M+Na]+ 370.10836 186.1
[M-H]- 346.11186 186.4
[M+NH4]+ 365.15296 193.6
[M+K]+ 386.08230 182.1
[M+H-H2O]+ 330.11640 171.9
[M+HCOO]- 392.11734 199.0
[M+CH3COO]- 406.13299 212.4
[M+Na-2H]- 368.09381 181.2
[M]+ 347.11859 186.8
[M]- 347.11969 186.8
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

patents stripe