CID 44218

1,4-bis(1-adamantyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C24H38N2
SMILES
C1CN(CCN1C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6
InChI
InChI=1S/C24H38N2/c1-2-26(24-14-20-8-21(15-24)10-22(9-20)16-24)4-3-25(1)23-11-17-5-18(12-23)7-19(6-17)13-23/h17-22H,1-16H2
InChIKey
AEPWOHOTIJTJMV-UHFFFAOYSA-N
Compound name
1,4-bis(1-adamantyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.3035 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.31078 204.7
[M+Na]+ 377.29272 211.6
[M+NH4]+ 372.33732 219.7
[M+K]+ 393.26666 197.8
[M-H]- 353.29622 203.0
[M+Na-2H]- 375.27817 194.2
[M]+ 354.30295 205.5
[M]- 354.30405 205.5
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.