CID 212568

Benzamide, 5-hydroxy-2-(2-(phenylthio)ethoxy)-

Structural Information

Molecular Formula
C15H15NO3S
SMILES
C1=CC=C(C=C1)SCCOC2=C(C=C(C=C2)O)C(=O)N
InChI
InChI=1S/C15H15NO3S/c16-15(18)13-10-11(17)6-7-14(13)19-8-9-20-12-4-2-1-3-5-12/h1-7,10,17H,8-9H2,(H2,16,18)
InChIKey
WFTWWMSSHMFLJN-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(2-phenylsulfanylethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.07727 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.084546 164.3
[M+Na]+ 312.066488 170.8
[M-H]- 288.069994 169.2
[M+NH4]+ 307.111093 178.9
[M+K]+ 328.040428 165.9
[M+H-H2O]+ 272.074530 156.7
[M+HCOO]- 334.075471 181.9
[M+CH3COO]- 348.091121 199.0
[M+Na-2H]- 310.051936 165.7
[M]+ 289.07672142 166.1
[M]- 289.07781858 166.1
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.