CID 3019030

81947-89-9

Structural Information

Molecular Formula

C₁₇H₂₂ClN₃O₂

SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C2=NN=C(C=C2)Cl)O

InChI

InChI=1S/C17H22ClN3O2/c1-17(2,3)19-10-12(22)11-23-15-7-5-4-6-13(15)14-8-9-16(18)21-20-14/h4-9,12,19,22H,10-11H2,1-3H3

InChIKey

CCDYHFOTHNDEDP-UHFFFAOYSA-N

Compound name

1-(tert-butylamino)-3-[2-(6-chloropyridazin-3-yl)phenoxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 335.14005 Da
Monoisotopic Mass: 2.4
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]+	336.147326	179.4
[M+Na]+	358.129268	186.0
[M-H]-	334.132774	181.9
[M+NH4]+	353.173873	190.4
[M+K]+	374.103208	180.6
[M+H-H2O]+	318.137310	170.7
[M+HCOO]-	380.138251	192.8
[M+CH3COO]-	394.153901	209.4
[M+Na-2H]-	356.114716	183.8
[M]+	335.13950142	182.5
[M]-	335.14059858	182.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe