CID 3054761

71746-33-3

Structural Information

Molecular Formula
C20H30N2O3
SMILES
CCCOC1=CC=CC=C1NC(=O)O[C@@H]2[C@H](C3CCC2CC3)N(C)C
InChI
InChI=1S/C20H30N2O3/c1-4-13-24-17-8-6-5-7-16(17)21-20(23)25-19-15-11-9-14(10-12-15)18(19)22(2)3/h5-8,14-15,18-19H,4,9-13H2,1-3H3,(H,21,23)/t14?,15?,18-,19-/m0/s1
InChIKey
HNYWXMISDLVDCD-BURPLHJFSA-N
Compound name
[(2S,3S)-3-(dimethylamino)-2-bicyclo[2.2.2]octanyl] N-(2-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.22565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.232926 181.5
[M+Na]+ 369.214868 181.6
[M-H]- 345.218374 181.2
[M+NH4]+ 364.259473 198.8
[M+K]+ 385.188808 180.3
[M+H-H2O]+ 329.222910 174.0
[M+HCOO]- 391.223851 193.1
[M+CH3COO]- 405.239501 226.2
[M+Na-2H]- 367.200316 187.6
[M]+ 346.22510142 184.9
[M]- 346.22619858 184.9
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.