CID 14439274

54296-25-2

Structural Information

Molecular Formula
C22H19N
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C22H19N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h4-15H,2-3H2,1H3
InChIKey
PWZKBBQJWUEPOK-UHFFFAOYSA-N
Compound name
4-[4-(4-propylphenyl)phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

297.15176 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15904 177.8
[M+Na]+ 320.14098 188.0
[M-H]- 296.14448 185.1
[M+NH4]+ 315.18558 191.1
[M+K]+ 336.11492 178.6
[M+H-H2O]+ 280.14902 162.5
[M+HCOO]- 342.14996 196.8
[M+CH3COO]- 356.16561 187.5
[M+Na-2H]- 318.12643 180.6
[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

patents stripe