CID 214004

Brn 2129034

Structural Information

Molecular Formula

C₁₄H₂₂N₂O₃

SMILES

CC(C)NCC(COC1=CC=C(C=C1)C(=O)NC)O

InChI

InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-6-4-11(5-7-13)14(18)15-3/h4-7,10,12,16-17H,8-9H2,1-3H3,(H,15,18)

InChIKey

WLABPMHXVGFSAJ-UHFFFAOYSA-N

Compound name

4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 266.16306 Da
Monoisotopic Mass: 1.0
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]+	267.17034	164.3
[M+Na]+	289.15228	172.0
[M+NH4]+	284.19688	169.8
[M+K]+	305.12622	168.0
[M-H]-	265.15578	165.0
[M+Na-2H]-	287.13773	167.6
[M]+	266.16251	165.1
[M]-	266.16361	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe