CID 206585

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

Structural Information

Molecular Formula
C12H17NO3S
SMILES
CCSCCCOC1=C(C=C(C=C1)O)C(=O)N
InChI
InChI=1S/C12H17NO3S/c1-2-17-7-3-6-16-11-5-4-9(14)8-10(11)12(13)15/h4-5,8,14H,2-3,6-7H2,1H3,(H2,13,15)
InChIKey
LLJQNGDHGXBIME-UHFFFAOYSA-N
Compound name
2-(3-ethylsulfanylpropoxy)-5-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.09291 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10019 156.9
[M+Na]+ 278.08213 163.1
[M-H]- 254.08563 158.5
[M+NH4]+ 273.12673 173.2
[M+K]+ 294.05607 159.4
[M+H-H2O]+ 238.09017 150.2
[M+HCOO]- 300.09111 173.7
[M+CH3COO]- 314.10676 194.2
[M+Na-2H]- 276.06758 156.8
[M]+ 255.09236 160.0
[M]- 255.09346 160.0
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.