CID 68778

Budipine

Structural Information

Molecular Formula
C21H27N
SMILES
CC(C)(C)N1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
InChIKey
QIHLUZAFSSMXHQ-UHFFFAOYSA-N
Compound name
1-tert-butyl-4,4-diphenylpiperidine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

64
References

3836
Patents

293.21436 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 174.4
[M+Na]+ 316.20358 178.7
[M-H]- 292.20708 181.5
[M+NH4]+ 311.24818 189.8
[M+K]+ 332.17752 173.7
[M+H-H2O]+ 276.21162 164.8
[M+HCOO]- 338.21256 190.6
[M+CH3COO]- 352.22821 184.1
[M+Na-2H]- 314.18903 179.0
[M]+ 293.21381 169.4
[M]- 293.21491 169.4
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