CID 6433336

Brn 0620652

Structural Information

Molecular Formula
C18H23ClN2O
SMILES
CCC(=O)N1C2CCC1CN(C2)C/C=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C18H23ClN2O/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
WOZGBTQJZSOEEM-FNORWQNLSA-N
Compound name
1-[3-[(E)-3-(2-chlorophenyl)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

318.1499 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15718 176.3
[M+Na]+ 341.13912 188.5
[M+NH4]+ 336.18372 184.5
[M+K]+ 357.11306 181.5
[M-H]- 317.14262 178.2
[M+Na-2H]- 339.12457 179.3
[M]+ 318.14935 178.7
[M]- 318.15045 178.7
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.