CID 6433281

1-[3-[(e)-3-(3-bromophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one

Structural Information

Molecular Formula
C18H23BrN2O
SMILES
CCC(=O)N1C2CCC1CN(C2)C/C=C/C3=CC(=CC=C3)Br
InChI
InChI=1S/C18H23BrN2O/c1-2-18(22)21-16-8-9-17(21)13-20(12-16)10-4-6-14-5-3-7-15(19)11-14/h3-7,11,16-17H,2,8-10,12-13H2,1H3/b6-4+
InChIKey
PAUUMXXIFVWHLA-GQCTYLIASA-N
Compound name
1-[3-[(E)-3-(3-bromophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.09937 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10665 183.7
[M+Na]+ 385.08859 185.2
[M+NH4]+ 380.13319 187.6
[M+K]+ 401.06253 184.9
[M-H]- 361.09209 183.6
[M+Na-2H]- 383.07404 182.9
[M]+ 362.09882 182.5
[M]- 362.09992 182.5
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.