CID 86560

17371-45-8

Structural Information

Molecular Formula
C22H26N2
SMILES
CC(CN1CCCCC1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2/c1-19(17-24-15-9-4-10-16-24)22(18-23,20-11-5-2-6-12-20)21-13-7-3-8-14-21/h2-3,5-8,11-14,19H,4,9-10,15-17H2,1H3
InChIKey
HGKFSYSKZCQWHP-UHFFFAOYSA-N
Compound name
3-methyl-2,2-diphenyl-4-piperidin-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.2096 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 183.2
[M+Na]+ 341.19882 187.8
[M-H]- 317.20232 187.3
[M+NH4]+ 336.24342 193.2
[M+K]+ 357.17276 179.6
[M+H-H2O]+ 301.20686 166.7
[M+HCOO]- 363.20780 194.7
[M+CH3COO]- 377.22345 217.3
[M+Na-2H]- 339.18427 185.0
[M]+ 318.20905 172.3
[M]- 318.21015 172.3
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