CID 198153

Rom 203

Structural Information

Molecular Formula

C₂₀H₂₈N₂O₄

SMILES

C1=CC=C(C=C1)OCC(CNCCNCC(COC2=CC=CC=C2)O)O

InChI

InChI=1S/C20H28N2O4/c23-17(15-25-19-7-3-1-4-8-19)13-21-11-12-22-14-18(24)16-26-20-9-5-2-6-10-20/h1-10,17-18,21-24H,11-16H2

InChIKey

ZRTJDAGDIFOGTM-UHFFFAOYSA-N

Compound name

1-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethylamino]-3-phenoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 360.2049 Da
Monoisotopic Mass: 2.1
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]+	361.212176	185.2
[M+Na]+	383.194118	185.3
[M-H]-	359.197624	187.3
[M+NH4]+	378.238723	194.6
[M+K]+	399.168058	181.9
[M+H-H2O]+	343.202160	175.6
[M+HCOO]-	405.203101	205.3
[M+CH3COO]-	419.218751	215.1
[M+Na-2H]-	381.179566	187.9
[M]+	360.20435142	185.5
[M]-	360.20544858	185.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe