CID 3044460

Te 156

Structural Information

Molecular Formula

C₁₉H₂₅NO₂

SMILES

CC(CC1=CC=CC=C1)NCCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C19H25NO2/c1-16(14-17-8-4-2-5-9-17)20-13-12-18(21)15-22-19-10-6-3-7-11-19/h2-11,16,18,20-21H,12-15H2,1H3

InChIKey

ARHCKRDCLIPREX-UHFFFAOYSA-N

Compound name

1-phenoxy-4-(1-phenylpropan-2-ylamino)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 299.18854 Da
Monoisotopic Mass: 3.6
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]+	300.195816	174.0
[M+Na]+	322.177758	176.3
[M-H]-	298.181264	177.9
[M+NH4]+	317.222363	187.3
[M+K]+	338.151698	172.4
[M+H-H2O]+	282.185800	165.3
[M+HCOO]-	344.186741	194.5
[M+CH3COO]-	358.202391	205.1
[M+Na-2H]-	320.163206	176.8
[M]+	299.18799142	173.7
[M]-	299.18908858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe