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 186.1
[M+Na]+ 383.23052 185.7
[M-H]- 359.23402 182.6
[M+NH4]+ 378.27512 201.0
[M+K]+ 399.20446 182.5
[M+H-H2O]+ 343.23856 177.5
[M+HCOO]- 405.23950 194.9
[M+CH3COO]- 419.25515 222.1
[M+Na-2H]- 381.21597 192.7
[M]+ 360.24075 189.6
[M]- 360.24185 189.6
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.