CID 6434797

3-cinnamyl-9-propionyl-3,9-diazabicyclo(3.3.1)nonane

Structural Information

Molecular Formula
C19H26N2O
SMILES
CCC(=O)C1C2CNCC1CN(C2)C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C19H26N2O/c1-2-18(22)19-16-11-20-12-17(19)14-21(13-16)10-6-9-15-7-4-3-5-8-15/h3-9,16-17,19-20H,2,10-14H2,1H3/b9-6+
InChIKey
NGNZYIOQPQJODA-RMKNXTFCSA-N
Compound name
1-[3-[(E)-3-phenylprop-2-enyl]-3,7-diazabicyclo[3.3.1]nonan-9-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 175.8
[M+Na]+ 321.19372 187.0
[M+NH4]+ 316.23832 183.5
[M+K]+ 337.16766 178.7
[M-H]- 297.19722 177.8
[M+Na-2H]- 319.17917 179.0
[M]+ 298.20395 177.7
[M]- 298.20505 177.7
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.