CID 4349671

3333-16-2

Structural Information

Molecular Formula
C22H19N
SMILES
C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C#N)C3=CC=CC=C3
InChI
InChI=1S/C22H19N/c23-18-22(21-14-8-3-9-15-21,16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15H,16-17H2
InChIKey
QLGWFVNKFGJFPA-UHFFFAOYSA-N
Compound name
2-benzyl-2,3-diphenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

297.15176 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15904 181.5
[M+Na]+ 320.14098 189.5
[M-H]- 296.14448 187.8
[M+NH4]+ 315.18558 193.8
[M+K]+ 336.11492 180.2
[M+H-H2O]+ 280.14902 166.0
[M+HCOO]- 342.14996 198.8
[M+CH3COO]- 356.16561 190.1
[M+Na-2H]- 318.12643 186.4
[M]+ 297.15121 174.5
[M]- 297.15231 174.5
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