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]+ 375.264236 190.7
[M+Na]+ 397.246178 189.9
[M-H]- 373.249684 189.9
[M+NH4]+ 392.290783 206.8
[M+K]+ 413.220118 188.1
[M+H-H2O]+ 357.254220 182.8
[M+HCOO]- 419.255161 201.5
[M+CH3COO]- 433.270811 231.9
[M+Na-2H]- 395.231626 195.7
[M]+ 374.25641142 194.7
[M]- 374.25750858 194.7
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.