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

58
Patents

286.17215 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17943 170.6
[M+Na]+ 309.16137 174.7
[M-H]- 285.16487 178.9
[M+NH4]+ 304.20597 185.0
[M+K]+ 325.13531 168.5
[M+H-H2O]+ 269.16941 161.1
[M+HCOO]- 331.17035 192.4
[M+CH3COO]- 345.18600 181.0
[M+Na-2H]- 307.14682 175.4
[M]+ 286.17160 168.8
[M]- 286.17270 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe