CID 59050446

191546-94-8

Structural Information

Molecular Formula

C₁₇H₂₁N₃

SMILES

CC1=C(N=CC=C1)N2CCN(CC2C3=CC=CC=C3)C

InChI

InChI=1S/C17H21N3/c1-14-7-6-10-18-17(14)20-12-11-19(2)13-16(20)15-8-4-3-5-9-15/h3-10,16H,11-13H2,1-2H3

InChIKey

JNMXDZGUVXJVEE-UHFFFAOYSA-N

Compound name

4-methyl-1-(3-methyl-2-pyridinyl)-2-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 267.17355 Da
Monoisotopic Mass: 3.0
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]+	268.180826	166.4
[M+Na]+	290.162768	172.8
[M-H]-	266.166274	171.2
[M+NH4]+	285.207373	178.3
[M+K]+	306.136708	167.1
[M+H-H2O]+	250.170810	155.1
[M+HCOO]-	312.171751	182.5
[M+CH3COO]-	326.187401	176.2
[M+Na-2H]-	288.148216	169.9
[M]+	267.17300142	162.0
[M]-	267.17409858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe