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]+ 290.08455 164.3
[M+Na]+ 312.06649 170.8
[M-H]- 288.06999 169.2
[M+NH4]+ 307.11109 178.9
[M+K]+ 328.04043 165.9
[M+H-H2O]+ 272.07453 156.7
[M+HCOO]- 334.07547 181.9
[M+CH3COO]- 348.09112 199.0
[M+Na-2H]- 310.05194 165.7
[M]+ 289.07672 166.1
[M]- 289.07782 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.