CID 10404144

221470-50-4

Structural Information

Molecular Formula

C₁₈H₁₉ClN₄

SMILES

C1CN(CCN1CC2=C3C=CC=CN3N=C2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H19ClN4/c19-16-4-6-17(7-5-16)22-11-9-21(10-12-22)14-15-13-20-23-8-2-1-3-18(15)23/h1-8,13H,9-12,14H2

InChIKey

XVPRVMIFXXOEFR-UHFFFAOYSA-N

Compound name

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 4
Patents: 326.12982 Da
Monoisotopic Mass: 3.1
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]+	327.13710	177.4
[M+Na]+	349.11904	186.2
[M-H]-	325.12254	181.8
[M+NH4]+	344.16364	189.0
[M+K]+	365.09298	178.1
[M+H-H2O]+	309.12708	165.1
[M+HCOO]-	371.12802	188.9
[M+CH3COO]-	385.14367	186.8
[M+Na-2H]-	347.10449	180.3
[M]+	326.12927	176.8
[M]-	326.13037	176.8

Literature stripe

literature stripe

Patent stripe

patents stripe