CID 2746

Tacedinaline

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂

SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N

InChI

InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)

InChIKey

VAZAPHZUAVEOMC-UHFFFAOYSA-N

Compound name

4-acetamido-N-(2-aminophenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 91
References: 11789
Patents: 269.11642 Da
Monoisotopic Mass: 1.3
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]+	270.12370	161.6
[M+Na]+	292.10564	167.0
[M-H]-	268.10914	168.0
[M+NH4]+	287.15024	176.5
[M+K]+	308.07958	163.7
[M+H-H2O]+	252.11368	153.3
[M+HCOO]-	314.11462	186.9
[M+CH3COO]-	328.13027	204.9
[M+Na-2H]-	290.09109	165.4
[M]+	269.11587	158.7
[M]-	269.11697	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe