CID 4930

Pronethalol

Structural Information

Molecular Formula

C₁₅H₁₉NO

SMILES

CC(C)NCC(C1=CC2=CC=CC=C2C=C1)O

InChI

InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3

InChIKey

HRSANNODOVBCST-UHFFFAOYSA-N

Compound name

1-naphthalen-2-yl-2-(propan-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 119
References: 3971
Patents: 229.14667 Da
Monoisotopic Mass: 3.0
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]+	230.153946	153.5
[M+Na]+	252.135888	158.8
[M-H]-	228.139394	156.2
[M+NH4]+	247.180493	171.6
[M+K]+	268.109828	155.3
[M+H-H2O]+	212.143930	147.0
[M+HCOO]-	274.144871	173.7
[M+CH3COO]-	288.160521	194.0
[M+Na-2H]-	250.121336	158.5
[M]+	229.14612142	152.3
[M]-	229.14721858	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe