CID 5276206

2-[4-[2-(1-adamantyl)ethyl]piperazin-1-yl]pyrimidine

Structural Information

Molecular Formula
C20H30N4
SMILES
C1CN(CCN1CCC23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5
InChI
InChI=1S/C20H30N4/c1-3-21-19(22-4-1)24-8-6-23(7-9-24)5-2-20-13-16-10-17(14-20)12-18(11-16)15-20/h1,3-4,16-18H,2,5-15H2
InChIKey
YWMFMTBBMTWCGZ-UHFFFAOYSA-N
Compound name
2-[4-[2-(1-adamantyl)ethyl]piperazin-1-yl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.24704 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.25432 174.9
[M+Na]+ 349.23626 174.0
[M-H]- 325.23976 169.0
[M+NH4]+ 344.28086 189.1
[M+K]+ 365.21020 168.2
[M+H-H2O]+ 309.24430 160.0
[M+HCOO]- 371.24524 173.2
[M+CH3COO]- 385.26089 178.5
[M+Na-2H]- 347.22171 182.3
[M]+ 326.24649 169.5
[M]- 326.24759 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.