CID 64385

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

Structural Information

Molecular Formula
C19H34N2O
SMILES
CCN(CC)CCCNC(=O)CC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C19H34N2O/c1-3-21(4-2)7-5-6-20-18(22)14-19-11-15-8-16(12-19)10-17(9-15)13-19/h15-17H,3-14H2,1-2H3,(H,20,22)
InChIKey
DJAYJTSMMVSGNI-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-N-[3-(diethylamino)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.26712 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.27440 178.7
[M+Na]+ 329.25634 176.2
[M-H]- 305.25984 173.2
[M+NH4]+ 324.30094 200.1
[M+K]+ 345.23028 173.6
[M+H-H2O]+ 289.26438 171.3
[M+HCOO]- 351.26532 185.0
[M+CH3COO]- 365.28097 222.1
[M+Na-2H]- 327.24179 185.4
[M]+ 306.26657 179.7
[M]- 306.26767 179.7
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.