CID 34585

2,6-dimethylcarbanilic acid 3-quinuclidinyl ester

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C16H22N2O2/c1-11-4-3-5-12(2)15(11)17-16(19)20-14-10-18-8-6-13(14)7-9-18/h3-5,13-14H,6-10H2,1-2H3,(H,17,19)
InChIKey
AURWKKVRNIRWKR-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2,6-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 159.7
[M+Na]+ 297.15734 170.3
[M+NH4]+ 292.20194 169.5
[M+K]+ 313.13128 163.0
[M-H]- 273.16084 160.0
[M+Na-2H]- 295.14279 159.3
[M]+ 274.16757 161.1
[M]- 274.16867 161.1
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.