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

5
Annotation Hits: 64
References: 3707
Patents: 293.21436 Da
Monoisotopic Mass: 5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.22164	175.3
[M+Na]+	316.20358	190.1
[M+NH4]+	311.24818	186.3
[M+K]+	332.17752	178.8
[M-H]-	292.20708	182.1
[M+Na-2H]-	314.18903	187.5
[M]+	293.21381	179.9
[M]-	293.21491	179.9

Literature stripe

literature stripe

Patent stripe

patents stripe