CID 515563

2-[1-adamantyl(ethyl)amino]ethyl 4-methylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C20H35N3O2
SMILES
CCN(CCOC(=O)N1CCN(CC1)C)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C20H35N3O2/c1-3-23(8-9-25-19(24)22-6-4-21(2)5-7-22)20-13-16-10-17(14-20)12-18(11-16)15-20/h16-18H,3-15H2,1-2H3
InChIKey
YJQPVZSGVDWFHM-UHFFFAOYSA-N
Compound name
2-[1-adamantyl(ethyl)amino]ethyl 4-methylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.27292 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.28020 183.7
[M+Na]+ 372.26214 180.5
[M-H]- 348.26564 178.0
[M+NH4]+ 367.30674 200.5
[M+K]+ 388.23608 178.2
[M+H-H2O]+ 332.27018 173.0
[M+HCOO]- 394.27112 183.6
[M+CH3COO]- 408.28677 187.5
[M+Na-2H]- 370.24759 188.6
[M]+ 349.27237 181.8
[M]- 349.27347 181.8
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.