CID 104588

53725-50-1

Structural Information

Molecular Formula
C23H36N2O
SMILES
CCCCC1=CC(N(C(C1)(C)C)C(=O)CN(C)CC2=CC=CC=C2)(C)C
InChI
InChI=1S/C23H36N2O/c1-7-8-12-20-15-22(2,3)25(23(4,5)16-20)21(26)18-24(6)17-19-13-10-9-11-14-19/h9-11,13-15H,7-8,12,16-18H2,1-6H3
InChIKey
JIOPMQJPYHJGJA-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]-1-(4-butyl-2,2,6,6-tetramethyl-3H-pyridin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.28278 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.29006 189.0
[M+Na]+ 379.27200 193.8
[M-H]- 355.27550 194.8
[M+NH4]+ 374.31660 205.2
[M+K]+ 395.24594 190.8
[M+H-H2O]+ 339.28004 180.7
[M+HCOO]- 401.28098 207.2
[M+CH3COO]- 415.29663 224.4
[M+Na-2H]- 377.25745 189.3
[M]+ 356.28223 191.4
[M]- 356.28333 191.4
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.