CID 568416

Droxinostat

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₃

SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NO

InChI

InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)

InChIKey

JHSXDAWGLCZYSM-UHFFFAOYSA-N

Compound name

4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 24
References: 1245
Patents: 243.06622 Da
Monoisotopic Mass: 2.8
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]+	244.07350	151.4
[M+Na]+	266.05544	159.2
[M-H]-	242.05894	153.8
[M+NH4]+	261.10004	169.1
[M+K]+	282.02938	155.4
[M+H-H2O]+	226.06348	146.2
[M+HCOO]-	288.06442	170.2
[M+CH3COO]-	302.08007	191.2
[M+Na-2H]-	264.04089	155.3
[M]+	243.06567	155.1
[M]-	243.06677	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe