CID 64383

N-(3-(dimethylamino)propyl)-1-adamantaneacetamide ethyl iodide

Structural Information

Molecular Formula
C17H30N2O
SMILES
CN(C)CCCNC(=O)CC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C17H30N2O/c1-19(2)5-3-4-18-16(20)12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,3-12H2,1-2H3,(H,18,20)
InChIKey
XZGVTXYCKLKUEP-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-N-[3-(dimethylamino)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2358 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.243076 169.7
[M+Na]+ 301.225018 168.1
[M-H]- 277.228524 164.7
[M+NH4]+ 296.269623 192.2
[M+K]+ 317.198958 165.9
[M+H-H2O]+ 261.233060 162.7
[M+HCOO]- 323.234001 176.8
[M+CH3COO]- 337.249651 216.4
[M+Na-2H]- 299.210466 177.5
[M]+ 278.23525142 170.2
[M]- 278.23634858 170.2
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.