CID 28676

3-quinuclidyl diphenylcarbamate

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1CN2CCC1C(C2)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H22N2O2/c23-20(24-19-15-21-13-11-16(19)12-14-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19H,11-15H2
InChIKey
IJIHPPHWXPHTRG-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N,N-diphenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

322.16812 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 170.5
[M+Na]+ 345.15734 182.7
[M+NH4]+ 340.20194 181.0
[M+K]+ 361.13128 174.2
[M-H]- 321.16084 173.7
[M+Na-2H]- 343.14279 173.9
[M]+ 322.16757 173.1
[M]- 322.16867 173.1
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

patents stripe