CID 22029039

401566-79-8

Structural Information

Molecular Formula

C₁₄H₁₈N₄

SMILES

CC1=NN(C(=C1)N2CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C14H18N4/c1-12-11-14(17-9-7-15-8-10-17)18(16-12)13-5-3-2-4-6-13/h2-6,11,15H,7-10H2,1H3

InChIKey

FBCUUXMVVOANMV-UHFFFAOYSA-N

Compound name

1-(5-methyl-2-phenylpyrazol-3-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 242.15315 Da
Monoisotopic Mass: 2.1
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]+	243.16043	158.0
[M+Na]+	265.14237	164.3
[M-H]-	241.14587	160.5
[M+NH4]+	260.18697	170.5
[M+K]+	281.11631	158.7
[M+H-H2O]+	225.15041	147.1
[M+HCOO]-	287.15135	173.3
[M+CH3COO]-	301.16700	167.7
[M+Na-2H]-	263.12782	160.4
[M]+	242.15260	151.9
[M]-	242.15370	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe