CID 3073714

151643-51-5

Structural Information

Molecular Formula
C21H32N2O3
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C21H32N2O3/c1-2-3-4-5-8-15-25-19-10-7-6-9-18(19)22-21(24)26-20-16-23-13-11-17(20)12-14-23/h6-7,9-10,17,20H,2-5,8,11-16H2,1H3,(H,22,24)
InChIKey
JGWRUUQLWNQWLG-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.2413 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.24858 184.6
[M+Na]+ 383.23052 193.3
[M+NH4]+ 378.27512 192.9
[M+K]+ 399.20446 185.2
[M-H]- 359.23402 184.1
[M+Na-2H]- 381.21597 182.7
[M]+ 360.24075 185.4
[M]- 360.24185 185.4
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.