CID 31944

Ketone, 1-adamantyl (4-(o-methoxyphenyl)-1-piperazinyl)methyl, monohydrochloride

Structural Information

Molecular Formula
C23H32N2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(=O)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C23H32N2O2/c1-27-21-5-3-2-4-20(21)25-8-6-24(7-9-25)16-22(26)23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,17-19H,6-16H2,1H3
InChIKey
WYANVGQNJAPSLR-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.24637 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.253646 186.0
[M+Na]+ 391.235588 184.0
[M-H]- 367.239094 182.5
[M+NH4]+ 386.280193 201.1
[M+K]+ 407.209528 179.2
[M+H-H2O]+ 351.243630 173.1
[M+HCOO]- 413.244571 184.8
[M+CH3COO]- 427.260221 189.7
[M+Na-2H]- 389.221036 190.6
[M]+ 368.24582142 182.3
[M]- 368.24691858 182.3
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.