CID 74936

4-[3-phenyl-1-(2-phenylethyl)propyl]pyridine

Structural Information

Molecular Formula
C22H23N
SMILES
C1=CC=C(C=C1)CCC(CCC2=CC=CC=C2)C3=CC=NC=C3
InChI
InChI=1S/C22H23N/c1-3-7-19(8-4-1)11-13-21(22-15-17-23-18-16-22)14-12-20-9-5-2-6-10-20/h1-10,15-18,21H,11-14H2
InChIKey
RWNXMNLTEMDVIG-UHFFFAOYSA-N
Compound name
4-(1,5-diphenylpentan-3-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

301.18304 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.19032 174.8
[M+Na]+ 324.17226 178.8
[M-H]- 300.17576 181.5
[M+NH4]+ 319.21686 187.1
[M+K]+ 340.14620 172.3
[M+H-H2O]+ 284.18030 164.1
[M+HCOO]- 346.18124 195.1
[M+CH3COO]- 360.19689 184.4
[M+Na-2H]- 322.15771 179.7
[M]+ 301.18249 173.4
[M]- 301.18359 173.4
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