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]+ 285.19615 169.5
[M+Na]+ 307.17809 173.0
[M-H]- 283.18159 174.1
[M+NH4]+ 302.22269 185.0
[M+K]+ 323.15203 167.7
[M+H-H2O]+ 267.18613 159.5
[M+HCOO]- 329.18707 181.7
[M+CH3COO]- 343.20272 178.2
[M+Na-2H]- 305.16354 169.2
[M]+ 284.18832 161.4
[M]- 284.18942 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.