CID 6434797

63978-05-2

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]+ 299.211776 175.2
[M+Na]+ 321.193718 177.9
[M-H]- 297.197224 175.0
[M+NH4]+ 316.238323 187.9
[M+K]+ 337.167658 171.6
[M+H-H2O]+ 281.201760 165.8
[M+HCOO]- 343.202701 185.5
[M+CH3COO]- 357.218351 203.3
[M+Na-2H]- 319.179166 176.5
[M]+ 298.20395142 168.6
[M]- 298.20504858 168.6
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.