CID 3054765

71746-35-5

Structural Information

Molecular Formula
C22H34N2O3
SMILES
CCCCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2[C@H](C3CCC2CC3)N(C)C
InChI
InChI=1S/C22H34N2O3/c1-4-5-6-14-26-19-9-7-8-18(15-19)23-22(25)27-21-17-12-10-16(11-13-17)20(21)24(2)3/h7-9,15-17,20-21H,4-6,10-14H2,1-3H3,(H,23,25)/t16?,17?,20-,21-/m0/s1
InChIKey
FUVWBSKRXIPTDY-QGWLNKKWSA-N
Compound name
[(2S,3S)-3-(dimethylamino)-2-bicyclo[2.2.2]octanyl] N-(3-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 190.7
[M+Na]+ 397.24618 189.9
[M-H]- 373.24968 189.9
[M+NH4]+ 392.29078 206.8
[M+K]+ 413.22012 188.1
[M+H-H2O]+ 357.25422 182.8
[M+HCOO]- 419.25516 201.5
[M+CH3COO]- 433.27081 231.9
[M+Na-2H]- 395.23163 195.7
[M]+ 374.25641 194.7
[M]- 374.25751 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.