CID 71587095

57898-79-0

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₄

SMILES

CCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C

InChI

InChI=1S/C17H26N2O4/c1-5-17(22)19-13-6-7-16(15(8-13)12(4)20)23-10-14(21)9-18-11(2)3/h6-8,11,14,18,21H,5,9-10H2,1-4H3,(H,19,22)

InChIKey

UJGDVPSHWFYNEV-UHFFFAOYSA-N

Compound name

N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 322.18927 Da
Monoisotopic Mass: 1.4
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]+	323.19655	179.3
[M+Na]+	345.17849	182.2
[M-H]-	321.18199	180.9
[M+NH4]+	340.22309	192.1
[M+K]+	361.15243	180.9
[M+H-H2O]+	305.18653	171.7
[M+HCOO]-	367.18747	198.9
[M+CH3COO]-	381.20312	214.9
[M+Na-2H]-	343.16394	177.1
[M]+	322.18872	181.2
[M]-	322.18982	181.2

Literature stripe

literature stripe

Patent stripe

patents stripe