CID 3047266

Lu 24943

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₃

SMILES

CC1=NOC2=C1C(=CC=C2)OCC(CNC(C)(C)C)O

InChI

InChI=1S/C15H22N2O3/c1-10-14-12(6-5-7-13(14)20-17-10)19-9-11(18)8-16-15(2,3)4/h5-7,11,16,18H,8-9H2,1-4H3

InChIKey

NVWNNIWVMQEWIX-UHFFFAOYSA-N

Compound name

1-(tert-butylamino)-3-[(3-methyl-1,2-benzoxazol-4-yl)oxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 278.16306 Da
Monoisotopic Mass: 2.0
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]+	279.170336	166.5
[M+Na]+	301.152278	174.2
[M-H]-	277.155784	169.5
[M+NH4]+	296.196883	182.4
[M+K]+	317.126218	172.6
[M+H-H2O]+	261.160320	160.0
[M+HCOO]-	323.161261	186.5
[M+CH3COO]-	337.176911	200.6
[M+Na-2H]-	299.137726	172.2
[M]+	278.16251142	172.0
[M]-	278.16360858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe