CID 3056073

73403-08-4

Structural Information

Molecular Formula
C23H39N
SMILES
CCC1CC(CN(C1)CC(C)CC2=CC=C(C=C2)C(C)(C)C)CC
InChI
InChI=1S/C23H39N/c1-7-19-14-20(8-2)17-24(16-19)15-18(3)13-21-9-11-22(12-10-21)23(4,5)6/h9-12,18-20H,7-8,13-17H2,1-6H3
InChIKey
CKSRKPINJXQORB-UHFFFAOYSA-N
Compound name
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-3,5-diethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.30826 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.31554 188.2
[M+Na]+ 352.29748 190.9
[M-H]- 328.30098 191.7
[M+NH4]+ 347.34208 201.2
[M+K]+ 368.27142 186.4
[M+H-H2O]+ 312.30552 179.6
[M+HCOO]- 374.30646 201.2
[M+CH3COO]- 388.32211 216.7
[M+Na-2H]- 350.28293 185.9
[M]+ 329.30771 186.6
[M]- 329.30881 186.6
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

No patent data available for this compound.