CID 17923892

Ns00096727

Structural Information

Molecular Formula

C₁₇H₂₃NO₄

SMILES

CCCOC(CC1CCC2=CC=CC=C12)(CC(=O)NO)C=O

InChI

InChI=1S/C17H23NO4/c1-2-9-22-17(12-19,11-16(20)18-21)10-14-8-7-13-5-3-4-6-15(13)14/h3-6,12,14,21H,2,7-11H2,1H3,(H,18,20)

InChIKey

PRNSYMPWNSTQHA-UHFFFAOYSA-N

Compound name

3-(2,3-dihydro-1H-inden-1-ylmethyl)-N-hydroxy-4-oxo-3-propoxybutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.16272 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]+	306.169996	173.0
[M+Na]+	328.151938	177.1
[M-H]-	304.155444	175.1
[M+NH4]+	323.196543	189.4
[M+K]+	344.125878	174.0
[M+H-H2O]+	288.159980	166.8
[M+HCOO]-	350.160921	192.1
[M+CH3COO]-	364.176571	203.7
[M+Na-2H]-	326.137386	176.0
[M]+	305.16217142	174.7
[M]-	305.16326858	174.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.