CID 199440

Brn 0620445

Structural Information

Molecular Formula
C20H28N2O
SMILES
C1CCC2C(CCC(C1)C2=O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C20H28N2O/c23-20-16-6-4-5-9-18(20)19(11-10-16)22-14-12-21(13-15-22)17-7-2-1-3-8-17/h1-3,7-8,16,18-19H,4-6,9-15H2
InChIKey
IQWCYMLQZJKKDS-UHFFFAOYSA-N
Compound name
7-(4-phenylpiperazin-1-yl)bicyclo[4.3.1]decan-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 177.5
[M+Na]+ 335.20937 178.7
[M-H]- 311.21287 182.4
[M+NH4]+ 330.25397 189.1
[M+K]+ 351.18331 176.6
[M+H-H2O]+ 295.21741 167.4
[M+HCOO]- 357.21835 186.8
[M+CH3COO]- 371.23400 184.3
[M+Na-2H]- 333.19482 177.8
[M]+ 312.21960 165.4
[M]- 312.22070 165.4
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.