CID 45272404

Chembl554586

Structural Information

Molecular Formula

C₁₇H₁₆N₂O₃

SMILES

C1=CC(=CC=C1C(=O)NCCC2=CNC3=C2C=C(C=C3)O)O

InChI

InChI=1S/C17H16N2O3/c20-13-3-1-11(2-4-13)17(22)18-8-7-12-10-19-16-6-5-14(21)9-15(12)16/h1-6,9-10,19-21H,7-8H2,(H,18,22)

InChIKey

ISSNDLXFBIARRB-UHFFFAOYSA-N

Compound name

4-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 296.1161 Da
Monoisotopic Mass: 1.8
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]+	297.123376	166.3
[M+Na]+	319.105318	174.1
[M-H]-	295.108824	169.6
[M+NH4]+	314.149923	180.8
[M+K]+	335.079258	168.0
[M+H-H2O]+	279.113360	158.9
[M+HCOO]-	341.114301	186.7
[M+CH3COO]-	355.129951	198.0
[M+Na-2H]-	317.090766	170.3
[M]+	296.11555142	165.9
[M]-	296.11664858	165.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.