CID 200420

1h-indazole, 5-chloro-3-(2-(dimethylamino)ethoxy)-1-(p-methoxybenzyl)-, monohydrochloride

Structural Information

Molecular Formula

C₁₉H₂₂ClN₃O₂

SMILES

CN(C)CCOC1=NN(C2=C1C=C(C=C2)Cl)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H22ClN3O2/c1-22(2)10-11-25-19-17-12-15(20)6-9-18(17)23(21-19)13-14-4-7-16(24-3)8-5-14/h4-9,12H,10-11,13H2,1-3H3

InChIKey

NTDAYFMOIDPJSW-UHFFFAOYSA-N

Compound name

2-[5-chloro-1-[(4-methoxyphenyl)methyl]indazol-3-yl]oxy-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 359.14005 Da
Monoisotopic Mass: 4.1
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]+	360.147326	185.4
[M+Na]+	382.129268	195.4
[M-H]-	358.132774	192.1
[M+NH4]+	377.173873	199.9
[M+K]+	398.103208	190.1
[M+H-H2O]+	342.137310	175.8
[M+HCOO]-	404.138251	204.5
[M+CH3COO]-	418.153901	219.9
[M+Na-2H]-	380.114716	188.3
[M]+	359.13950142	195.1
[M]-	359.14059858	195.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.