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]+ 361.248576 186.1
[M+Na]+ 383.230518 185.7
[M-H]- 359.234024 182.6
[M+NH4]+ 378.275123 201.0
[M+K]+ 399.204458 182.5
[M+H-H2O]+ 343.238560 177.5
[M+HCOO]- 405.239501 194.9
[M+CH3COO]- 419.255151 222.1
[M+Na-2H]- 381.215966 192.7
[M]+ 360.24075142 189.6
[M]- 360.24184858 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.