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 165.7
[M+Na]+ 377.29272 156.1
[M-H]- 353.29622 154.0
[M+NH4]+ 372.33732 183.2
[M+K]+ 393.26666 149.1
[M+H-H2O]+ 337.30076 145.1
[M+HCOO]- 399.30170 149.4
[M+CH3COO]- 413.31735 163.9
[M+Na-2H]- 375.27817 169.8
[M]+ 354.30295 155.6
[M]- 354.30405 155.6
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.