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 179.3
[M+Na]+ 341.13912 185.6
[M-H]- 317.14262 181.3
[M+NH4]+ 336.18372 195.2
[M+K]+ 357.11306 178.7
[M+H-H2O]+ 301.14716 171.0
[M+HCOO]- 363.14810 189.1
[M+CH3COO]- 377.16375 206.3
[M+Na-2H]- 339.12457 178.3
[M]+ 318.14935 178.8
[M]- 318.15045 178.8
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.