CID 2750001

Tribenzylmethane

Structural Information

Molecular Formula

C₂₂H₂₂

SMILES

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H22/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22H,16-18H2

InChIKey

LWYFYULAXDMTQV-UHFFFAOYSA-N

Compound name

(2-benzyl-3-phenylpropyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 286.17215 Da
Monoisotopic Mass: 6.4
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]+	287.17943	172.6
[M+Na]+	309.16137	189.6
[M+NH4]+	304.20597	183.1
[M+K]+	325.13531	178.1
[M-H]-	285.16487	181.2
[M+Na-2H]-	307.14682	186.0
[M]+	286.17160	177.9
[M]-	286.17270	177.9

Literature stripe

literature stripe

Patent stripe

patents stripe