CID 206572

Benzamide, 2-(3-(ethylthio)propoxy)-5-(methoxymethoxy)-

Structural Information

Molecular Formula
C14H21NO4S
SMILES
CCSCCCOC1=C(C=C(C=C1)OCOC)C(=O)N
InChI
InChI=1S/C14H21NO4S/c1-3-20-8-4-7-18-13-6-5-11(19-10-17-2)9-12(13)14(15)16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,15,16)
InChIKey
VSKWYQUUYOTIGD-UHFFFAOYSA-N
Compound name
2-(3-ethylsulfanylpropoxy)-5-(methoxymethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11914 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12642 168.6
[M+Na]+ 322.10836 174.2
[M-H]- 298.11186 171.2
[M+NH4]+ 317.15296 183.8
[M+K]+ 338.08230 171.5
[M+H-H2O]+ 282.11640 161.0
[M+HCOO]- 344.11734 186.5
[M+CH3COO]- 358.13299 204.8
[M+Na-2H]- 320.09381 168.1
[M]+ 299.11859 175.7
[M]- 299.11969 175.7
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.