CID 3062498

98236-25-0

Structural Information

Molecular Formula

C₂₀H₂₄N₂

SMILES

C1CC2=CC=CC=C2C1CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N2/c1-2-7-19(8-3-1)22-14-12-21(13-15-22)16-18-11-10-17-6-4-5-9-20(17)18/h1-9,18H,10-16H2

InChIKey

KSOUQNUDLOWLRP-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 292.19394 Da
Monoisotopic Mass: 4.0
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]+	293.201216	171.7
[M+Na]+	315.183158	176.0
[M-H]-	291.186664	177.9
[M+NH4]+	310.227763	186.2
[M+K]+	331.157098	169.7
[M+H-H2O]+	275.191200	160.8
[M+HCOO]-	337.192141	187.4
[M+CH3COO]-	351.207791	180.9
[M+Na-2H]-	313.168606	173.0
[M]+	292.19339142	165.5
[M]-	292.19448858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe