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

12
Patents

322.16812 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.175396 168.4
[M+Na]+ 345.157338 168.9
[M-H]- 321.160844 170.0
[M+NH4]+ 340.201943 184.6
[M+K]+ 361.131278 166.0
[M+H-H2O]+ 305.165380 158.6
[M+HCOO]- 367.166321 179.3
[M+CH3COO]- 381.181971 176.1
[M+Na-2H]- 343.142786 177.9
[M]+ 322.16757142 168.2
[M]- 322.16866858 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