CID 3021685

2-propanol, 3-(tert-butylamino)-1-(o-((5-methyl-3-isoxazolyl)methoxy)phenoxy)-, hydrochloride

Structural Information

Molecular Formula

C₁₈H₂₆N₂O₄

SMILES

CC1=CC(=NO1)COC2=CC=CC=C2OCC(CNC(C)(C)C)O

InChI

InChI=1S/C18H26N2O4/c1-13-9-14(20-24-13)11-22-16-7-5-6-8-17(16)23-12-15(21)10-19-18(2,3)4/h5-9,15,19,21H,10-12H2,1-4H3

InChIKey

FBRUUVRILAYWLS-UHFFFAOYSA-N

Compound name

1-(tert-butylamino)-3-[2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenoxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 334.18927 Da
Monoisotopic Mass: 2.6
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]+	335.196546	181.4
[M+Na]+	357.178488	186.4
[M-H]-	333.181994	186.0
[M+NH4]+	352.223093	193.3
[M+K]+	373.152428	185.1
[M+H-H2O]+	317.186530	173.3
[M+HCOO]-	379.187471	200.7
[M+CH3COO]-	393.203121	210.2
[M+Na-2H]-	355.163936	184.2
[M]+	334.18872142	186.5
[M]-	334.18981858	186.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.