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]+ 347.23293 181.5
[M+Na]+ 369.21487 181.6
[M-H]- 345.21837 181.2
[M+NH4]+ 364.25947 198.8
[M+K]+ 385.18881 180.3
[M+H-H2O]+ 329.22291 174.0
[M+HCOO]- 391.22385 193.1
[M+CH3COO]- 405.23950 226.2
[M+Na-2H]- 367.20032 187.6
[M]+ 346.22510 184.9
[M]- 346.22620 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.