CID 2811922

Oprea1_754175

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CC1=C(C=C(O1)C(C)(C)C)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H30N2O2/c1-16-19(14-20(26-16)22(2,3)4)21(25)23-18-10-12-24(13-11-18)15-17-8-6-5-7-9-17/h5-9,14,18H,10-13,15H2,1-4H3,(H,23,25)
InChIKey
ZVSMRJPFRGZBAR-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-5-tert-butyl-2-methylfuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 189.4
[M+Na]+ 377.219958 193.1
[M-H]- 353.223464 197.7
[M+NH4]+ 372.264563 201.0
[M+K]+ 393.193898 189.9
[M+H-H2O]+ 337.228000 180.6
[M+HCOO]- 399.228941 205.7
[M+CH3COO]- 413.244591 217.1
[M+Na-2H]- 375.205406 188.9
[M]+ 354.23019142 187.7
[M]- 354.23128858 187.7
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

No patent data available for this compound.