CID 115608

8-(p-isobutylphenylacethyl)-3-methyl-3,8-diazabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C19H28N2O
SMILES
CCC(C)C1=CC=C(C=C1)CC(=O)N2C3CCC2CN(C3)C
InChI
InChI=1S/C19H28N2O/c1-4-14(2)16-7-5-15(6-8-16)11-19(22)21-17-9-10-18(21)13-20(3)12-17/h5-8,14,17-18H,4,9-13H2,1-3H3
InChIKey
QVKYEWPCINBEKF-UHFFFAOYSA-N
Compound name
2-(4-butan-2-ylphenyl)-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.22015 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.227426 177.3
[M+Na]+ 323.209368 181.7
[M-H]- 299.212874 179.5
[M+NH4]+ 318.253973 193.1
[M+K]+ 339.183308 177.4
[M+H-H2O]+ 283.217410 168.8
[M+HCOO]- 345.218351 190.2
[M+CH3COO]- 359.234001 208.0
[M+Na-2H]- 321.194816 175.3
[M]+ 300.21960142 175.4
[M]- 300.22069858 175.4
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.