CID 3054767

71746-36-6

Structural Information

Molecular Formula
C23H36N2O3
SMILES
CCCCCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2[C@H](C3CCC2CC3)N(C)C
InChI
InChI=1S/C23H36N2O3/c1-4-5-6-7-15-27-20-10-8-9-19(16-20)24-23(26)28-22-18-13-11-17(12-14-18)21(22)25(2)3/h8-10,16-18,21-22H,4-7,11-15H2,1-3H3,(H,24,26)/t17?,18?,21-,22-/m0/s1
InChIKey
BIMCZYPOSVADEW-OWXVKCJTSA-N
Compound name
[(2S,3S)-3-(dimethylamino)-2-bicyclo[2.2.2]octanyl] N-(3-hexoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.27258 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.27986 191.2
[M+Na]+ 411.26180 198.8
[M+NH4]+ 406.30640 199.7
[M+K]+ 427.23574 191.2
[M-H]- 387.26530 191.9
[M+Na-2H]- 409.24725 189.0
[M]+ 388.27203 192.2
[M]- 388.27313 192.2
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.