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]+ 369.25365 186.0
[M+Na]+ 391.23559 184.0
[M-H]- 367.23909 182.5
[M+NH4]+ 386.28019 201.1
[M+K]+ 407.20953 179.2
[M+H-H2O]+ 351.24363 173.1
[M+HCOO]- 413.24457 184.8
[M+CH3COO]- 427.26022 189.7
[M+Na-2H]- 389.22104 190.6
[M]+ 368.24582 182.3
[M]- 368.24692 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.