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]+ 300.126416 168.6
[M+Na]+ 322.108358 174.2
[M-H]- 298.111864 171.2
[M+NH4]+ 317.152963 183.8
[M+K]+ 338.082298 171.5
[M+H-H2O]+ 282.116400 161.0
[M+HCOO]- 344.117341 186.5
[M+CH3COO]- 358.132991 204.8
[M+Na-2H]- 320.093806 168.1
[M]+ 299.11859142 175.7
[M]- 299.11968858 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.