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 168.4
[M+Na]+ 345.15734 168.9
[M-H]- 321.16084 170.0
[M+NH4]+ 340.20194 184.6
[M+K]+ 361.13128 166.0
[M+H-H2O]+ 305.16538 158.6
[M+HCOO]- 367.16632 179.3
[M+CH3COO]- 381.18197 176.1
[M+Na-2H]- 343.14279 177.9
[M]+ 322.16757 168.2
[M]- 322.16867 168.2
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