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]+ 301.22743 177.3
[M+Na]+ 323.20937 181.7
[M-H]- 299.21287 179.5
[M+NH4]+ 318.25397 193.1
[M+K]+ 339.18331 177.4
[M+H-H2O]+ 283.21741 168.8
[M+HCOO]- 345.21835 190.2
[M+CH3COO]- 359.23400 208.0
[M+Na-2H]- 321.19482 175.3
[M]+ 300.21960 175.4
[M]- 300.22070 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.