CID 3058723

75513-73-4

Structural Information

Molecular Formula
C20H38N2O2
SMILES
CCCCCC(=O)NCCCO[C@@H]1C[C@@]2(CC[C@H]1C(N2C)(C)C)C
InChI
InChI=1S/C20H38N2O2/c1-6-7-8-10-18(23)21-13-9-14-24-17-15-20(4)12-11-16(17)19(2,3)22(20)5/h16-17H,6-15H2,1-5H3,(H,21,23)/t16-,17-,20+/m1/s1
InChIKey
SPPPLXBQXDTNEN-HLIPFELVSA-N
Compound name
N-[3-[[(1S,4S,5R)-1,2,3,3-tetramethyl-2-azabicyclo[2.2.2]octan-5-yl]oxy]propyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.29333 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.30061 190.3
[M+Na]+ 361.28255 192.5
[M-H]- 337.28605 184.1
[M+NH4]+ 356.32715 210.9
[M+K]+ 377.25649 189.3
[M+H-H2O]+ 321.29059 183.9
[M+HCOO]- 383.29153 197.2
[M+CH3COO]- 397.30718 222.2
[M+Na-2H]- 359.26800 195.7
[M]+ 338.29278 195.5
[M]- 338.29388 195.5
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.