CID 6433296

1794-42-9

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]+ 363.106646 184.4
[M+Na]+ 385.088588 192.9
[M-H]- 361.092094 189.3
[M+NH4]+ 380.133193 201.6
[M+K]+ 401.062528 180.0
[M+H-H2O]+ 345.096630 182.6
[M+HCOO]- 407.097571 197.0
[M+CH3COO]- 421.113221 211.1
[M+Na-2H]- 383.074036 184.9
[M]+ 362.09882142 200.7
[M]- 362.09991858 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.