CID 3073710

Carbamic acid, (2-(pentyloxy)phenyl)-, 1-azabicyclo(2.2.2)oct-3-yl ester, monohydrochloride

Structural Information

Molecular Formula
C19H28N2O3
SMILES
CCCCCOC1=CC=CC=C1NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C19H28N2O3/c1-2-3-6-13-23-17-8-5-4-7-16(17)20-19(22)24-18-14-21-11-9-15(18)10-12-21/h4-5,7-8,15,18H,2-3,6,9-14H2,1H3,(H,20,22)
InChIKey
RDBNMIZJKMKEMV-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.21 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.217276 177.1
[M+Na]+ 355.199218 177.6
[M-H]- 331.202724 174.1
[M+NH4]+ 350.243823 193.2
[M+K]+ 371.173158 174.8
[M+H-H2O]+ 315.207260 168.9
[M+HCOO]- 377.208201 186.6
[M+CH3COO]- 391.223851 216.4
[M+Na-2H]- 353.184666 184.8
[M]+ 332.20945142 180.0
[M]- 332.21054858 180.0
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.