CID 230456

2,3,4-triphenylbutyronitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 180.1
[M+Na]+ 320.14098 187.2
[M-H]- 296.14448 186.2
[M+NH4]+ 315.18558 192.2
[M+K]+ 336.11492 178.2
[M+H-H2O]+ 280.14902 164.4
[M+HCOO]- 342.14996 197.1
[M+CH3COO]- 356.16561 188.4
[M+Na-2H]- 318.12643 182.5
[M]+ 297.15121 172.5
[M]- 297.15231 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.