CID 20146

4177-36-0

Structural Information

Molecular Formula
C18H24N2O
SMILES
C1CC2C(CCC1C2=O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C18H24N2O/c21-18-14-6-8-16(18)17(9-7-14)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-5,14,16-17H,6-13H2
InChIKey
VCRHNSZKKNPZIZ-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)bicyclo[3.2.1]octan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.18887 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.196146 169.5
[M+Na]+ 307.178088 173.0
[M-H]- 283.181594 174.1
[M+NH4]+ 302.222693 185.0
[M+K]+ 323.152028 167.7
[M+H-H2O]+ 267.186130 159.5
[M+HCOO]- 329.187071 181.7
[M+CH3COO]- 343.202721 178.2
[M+Na-2H]- 305.163536 169.2
[M]+ 284.18832142 161.4
[M]- 284.18941858 161.4
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.