CID 15541506

Sc-806

Structural Information

Molecular Formula

C₁₉H₂₀ClN₅

SMILES

CN1CCN(CC1)C2=NNC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN5/c1-24-10-12-25(13-11-24)19-17(14-6-8-21-9-7-14)18(22-23-19)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3,(H,22,23)

InChIKey

BKQFXMIFPQJYMZ-UHFFFAOYSA-N

Compound name

1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-4-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 32
Patents: 353.14072 Da
Monoisotopic Mass: 3.3
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]+	354.14800	185.9
[M+Na]+	376.12994	193.5
[M-H]-	352.13344	189.9
[M+NH4]+	371.17454	193.1
[M+K]+	392.10388	184.3
[M+H-H2O]+	336.13798	172.5
[M+HCOO]-	398.13892	194.2
[M+CH3COO]-	412.15457	193.5
[M+Na-2H]-	374.11539	185.6
[M]+	353.14017	182.0
[M]-	353.14127	182.0

Literature stripe

literature stripe

Patent stripe

patents stripe