CID 3021346

3-(3-piperidinobutylamino)indazole

Structural Information

Molecular Formula

C₁₆H₂₄N₄

SMILES

CC(CCNC1=NNC2=CC=CC=C21)N3CCCCC3

InChI

InChI=1S/C16H24N4/c1-13(20-11-5-2-6-12-20)9-10-17-16-14-7-3-4-8-15(14)18-19-16/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H2,17,18,19)

InChIKey

WGMNJXFDKMUVJT-UHFFFAOYSA-N

Compound name

N-(3-piperidin-1-ylbutyl)-1H-indazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 272.2001 Da
Monoisotopic Mass: 3.5
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]+	273.207376	164.6
[M+Na]+	295.189318	168.9
[M-H]-	271.192824	165.8
[M+NH4]+	290.233923	178.1
[M+K]+	311.163258	163.4
[M+H-H2O]+	255.197360	154.6
[M+HCOO]-	317.198301	180.6
[M+CH3COO]-	331.213951	173.5
[M+Na-2H]-	293.174766	168.2
[M]+	272.19955142	159.9
[M]-	272.20064858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe