CID 199440

4177-22-4

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]+ 313.227426 177.5
[M+Na]+ 335.209368 178.7
[M-H]- 311.212874 182.4
[M+NH4]+ 330.253973 189.1
[M+K]+ 351.183308 176.6
[M+H-H2O]+ 295.217410 167.4
[M+HCOO]- 357.218351 186.8
[M+CH3COO]- 371.234001 184.3
[M+Na-2H]- 333.194816 177.8
[M]+ 312.21960142 165.4
[M]- 312.22069858 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.