CID 206583

5-hydroxy-2-(1-methyl-2-(methylthio)ethoxy)benzamide

Structural Information

Molecular Formula
C11H15NO3S
SMILES
CC(CSC)OC1=C(C=C(C=C1)O)C(=O)N
InChI
InChI=1S/C11H15NO3S/c1-7(6-16-2)15-10-4-3-8(13)5-9(10)11(12)14/h3-5,7,13H,6H2,1-2H3,(H2,12,14)
InChIKey
XHRZSFNBPSYQOG-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(1-methylsulfanylpropan-2-yloxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.07727 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.084546 152.9
[M+Na]+ 264.066488 159.3
[M-H]- 240.069994 154.7
[M+NH4]+ 259.111093 169.7
[M+K]+ 280.040428 156.4
[M+H-H2O]+ 224.074530 146.6
[M+HCOO]- 286.075471 168.9
[M+CH3COO]- 300.091121 192.2
[M+Na-2H]- 262.051936 152.1
[M]+ 241.07672142 155.0
[M]- 241.07781858 155.0
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.