CID 166145

Aligeron

Structural Information

Molecular Formula

C₂₀H₂₄N₂

SMILES

C=CCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2/c1-2-13-21-14-16-22(17-15-21)20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-12,20H,1,13-17H2

InChIKey

QWGCFVBATALVAQ-UHFFFAOYSA-N

Compound name

1-benzhydryl-4-prop-2-enylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 10
Patents: 292.19394 Da
Monoisotopic Mass: 4.3
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]+	293.20122	172.8
[M+Na]+	315.18316	175.8
[M-H]-	291.18666	177.7
[M+NH4]+	310.22776	184.2
[M+K]+	331.15710	169.7
[M+H-H2O]+	275.19120	161.6
[M+HCOO]-	337.19214	188.5
[M+CH3COO]-	351.20779	181.3
[M+Na-2H]-	313.16861	175.1
[M]+	292.19339	166.8
[M]-	292.19449	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe