CID 64559

Piperazine, 4-(1-adamantylmethyl)-1-benzyl-

Structural Information

Molecular Formula
C22H32N2
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C22H32N2/c1-2-4-18(5-3-1)16-23-6-8-24(9-7-23)17-22-13-19-10-20(14-22)12-21(11-19)15-22/h1-5,19-21H,6-17H2
InChIKey
NYEMJQQTKVPBHB-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethyl)-4-benzylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.25656 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.26384 175.4
[M+Na]+ 347.24578 173.5
[M-H]- 323.24928 172.0
[M+NH4]+ 342.29038 192.4
[M+K]+ 363.21972 167.4
[M+H-H2O]+ 307.25382 161.9
[M+HCOO]- 369.25476 175.4
[M+CH3COO]- 383.27041 179.6
[M+Na-2H]- 345.23123 181.6
[M]+ 324.25601 169.4
[M]- 324.25711 169.4
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.