CID 64381

N-(2-(diethylamino)ethyl)-1-adamantaneacetamide ethyl iodide

Structural Information

Molecular Formula
C18H32N2O
SMILES
CCN(CC)CCNC(=O)CC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C18H32N2O/c1-3-20(4-2)6-5-19-17(21)13-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,3-13H2,1-2H3,(H,19,21)
InChIKey
VQFLSZYCELATFZ-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-N-[2-(diethylamino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.25146 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.25874 174.2
[M+Na]+ 315.24068 172.2
[M-H]- 291.24418 169.0
[M+NH4]+ 310.28528 196.1
[M+K]+ 331.21462 169.8
[M+H-H2O]+ 275.24872 167.0
[M+HCOO]- 337.24966 180.9
[M+CH3COO]- 351.26531 219.2
[M+Na-2H]- 313.22613 181.5
[M]+ 292.25091 175.0
[M]- 292.25201 175.0
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.