CID 6483160

Schembl4996829

Structural Information

Molecular Formula

C₂₀H₂₂N₄O

SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=COC=C4)C

InChI

InChI=1S/C20H22N4O/c1-15-4-3-5-19(16(15)2)23-7-9-24(10-8-23)20-13-21-12-18(22-20)17-6-11-25-14-17/h3-6,11-14H,7-10H2,1-2H3

InChIKey

QKTZZVKSKGRAKA-UHFFFAOYSA-N

Compound name

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 334.17935 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]+	335.186626	183.0
[M+Na]+	357.168568	190.2
[M-H]-	333.172074	190.7
[M+NH4]+	352.213173	190.9
[M+K]+	373.142508	184.6
[M+H-H2O]+	317.176610	170.3
[M+HCOO]-	379.177551	197.9
[M+CH3COO]-	393.193201	192.1
[M+Na-2H]-	355.154016	183.4
[M]+	334.17880142	180.6
[M]-	334.17989858	180.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe