CID 6433296

1-[3-[(e)-3-(2-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=C3Br
InChI
InChI=1S/C18H23BrN2O/c1-2-18(22)21-15-9-10-16(21)13-20(12-15)11-5-7-14-6-3-4-8-17(14)19/h3-8,15-16H,2,9-13H2,1H3/b7-5+
InChIKey
LDDRDIZNVOWRPM-FNORWQNLSA-N
Compound name
1-[3-[(E)-3-(2-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 184.4
[M+Na]+ 385.08859 192.9
[M-H]- 361.09209 189.3
[M+NH4]+ 380.13319 201.6
[M+K]+ 401.06253 180.0
[M+H-H2O]+ 345.09663 182.6
[M+HCOO]- 407.09757 197.0
[M+CH3COO]- 421.11322 211.1
[M+Na-2H]- 383.07404 184.9
[M]+ 362.09882 200.7
[M]- 362.09992 200.7
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.