CID 3012260

Chembl66980

Structural Information

Molecular Formula
C20H34N2O
SMILES
CCN(CC)CCN1CCC(C1=O)C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C20H34N2O/c1-3-21(4-2)7-8-22-6-5-18(20(22)23)19-16-10-14-9-15(12-16)13-17(19)11-14/h14-19H,3-13H2,1-2H3
InChIKey
FHEFKUSEFHZPGQ-UHFFFAOYSA-N
Compound name
3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.26712 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.27440 178.5
[M+Na]+ 341.25634 177.2
[M-H]- 317.25984 175.3
[M+NH4]+ 336.30094 198.6
[M+K]+ 357.23028 173.5
[M+H-H2O]+ 301.26438 170.6
[M+HCOO]- 363.26532 182.8
[M+CH3COO]- 377.28097 184.3
[M+Na-2H]- 339.24179 180.0
[M]+ 318.26657 178.0
[M]- 318.26767 178.0
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.