CID 200591

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

Structural Information

Molecular Formula

C₂₀H₂₄ClN₃O₂

SMILES

CN(C)CCCOC1=NN(C2=C1C=C(C=C2)Cl)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24ClN3O2/c1-23(2)11-4-12-26-20-18-13-16(21)7-10-19(18)24(22-20)14-15-5-8-17(25-3)9-6-15/h5-10,13H,4,11-12,14H2,1-3H3

InChIKey

HMBHPSVPEVUQLI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 373.1557 Da
Monoisotopic Mass: 4.5
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]+	374.162976	190.0
[M+Na]+	396.144918	199.6
[M-H]-	372.148424	196.6
[M+NH4]+	391.189523	203.9
[M+K]+	412.118858	194.1
[M+H-H2O]+	356.152960	180.2
[M+HCOO]-	418.153901	208.7
[M+CH3COO]-	432.169551	222.8
[M+Na-2H]-	394.130366	192.4
[M]+	373.15515142	200.1
[M]-	373.15624858	200.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.