CID 3059480

76681-28-2

Structural Information

Molecular Formula
C19H15NO2S
SMILES
C1=CC=C(C=C1)SC2=CC=CC=C2NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C19H15NO2S/c21-17-12-6-4-10-15(17)19(22)20-16-11-5-7-13-18(16)23-14-8-2-1-3-9-14/h1-13,21H,(H,20,22)
InChIKey
HTQDFPPAGBEVRI-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.08234 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08962 172.9
[M+Na]+ 344.07156 179.5
[M-H]- 320.07506 181.3
[M+NH4]+ 339.11616 186.2
[M+K]+ 360.04550 173.0
[M+H-H2O]+ 304.07960 164.4
[M+HCOO]- 366.08054 191.1
[M+CH3COO]- 380.09619 183.5
[M+Na-2H]- 342.05701 175.9
[M]+ 321.08179 173.0
[M]- 321.08289 173.0
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.