CID 3054763

71746-34-4

Structural Information

Molecular Formula
C22H34N2O3
SMILES
CCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2[C@H](C3CCC2CC3)N(C)C
InChI
InChI=1S/C22H34N2O3/c1-4-5-8-15-26-19-10-7-6-9-18(19)23-22(25)27-21-17-13-11-16(12-14-17)20(21)24(2)3/h6-7,9-10,16-17,20-21H,4-5,8,11-15H2,1-3H3,(H,23,25)/t16?,17?,20-,21-/m0/s1
InChIKey
UKGPTITWPGOEKR-QGWLNKKWSA-N
Compound name
[(2S,3S)-3-(dimethylamino)-2-bicyclo[2.2.2]octanyl] N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.25696 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.26424 186.8
[M+Na]+ 397.24618 194.7
[M+NH4]+ 392.29078 195.5
[M+K]+ 413.22012 187.3
[M-H]- 373.24968 187.6
[M+Na-2H]- 395.23163 184.9
[M]+ 374.25641 187.8
[M]- 374.25751 187.8
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.