CID 24875489

Remetinostat

Structural Information

Molecular Formula

C₁₆H₂₁NO₆

SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)CCCCCCC(=O)NO

InChI

InChI=1S/C16H21NO6/c1-22-16(20)12-8-10-13(11-9-12)23-15(19)7-5-3-2-4-6-14(18)17-21/h8-11,21H,2-7H2,1H3,(H,17,18)

InChIKey

XDZAHHULFQIBFE-UHFFFAOYSA-N

Compound name

methyl 4-[8-(hydroxyamino)-8-oxooctanoyl]oxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 848
Patents: 323.1369 Da
Monoisotopic Mass: 2.0
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]+	324.144176	175.0
[M+Na]+	346.126118	178.6
[M-H]-	322.129624	176.3
[M+NH4]+	341.170723	187.7
[M+K]+	362.100058	177.4
[M+H-H2O]+	306.134160	167.2
[M+HCOO]-	368.135101	195.6
[M+CH3COO]-	382.150751	206.6
[M+Na-2H]-	344.111566	175.1
[M]+	323.13635142	179.5
[M]-	323.13744858	179.5

Literature stripe

literature stripe

Patent stripe

patents stripe