CID 6918638

Belinostat

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₄S

SMILES

C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO

InChI

InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+

InChIKey

NCNRHFGMJRPRSK-MDZDMXLPSA-N

Compound name

(E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 242
References: 20350
Patents: 318.0674 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	319.07468	170.1
[M+Na]+	341.05662	175.8
[M-H]-	317.06012	175.2
[M+NH4]+	336.10122	183.0
[M+K]+	357.03056	170.5
[M+H-H2O]+	301.06466	162.3
[M+HCOO]-	363.06560	188.4
[M+CH3COO]-	377.08125	202.7
[M+Na-2H]-	339.04207	174.8
[M]+	318.06685	170.3
[M]-	318.06795	170.3

Literature stripe

literature stripe

Patent stripe

patents stripe