CID 113804

Ro 2-3911

Structural Information

Molecular Formula
C21H24N2O2
SMILES
C1CN2CCC1C(C2)(N)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H24N2O2/c22-21(15-23-13-11-18(21)12-14-23)25-20(24)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15,22H2
InChIKey
PKGBESYOBOTCKO-UHFFFAOYSA-N
Compound name
(3-amino-1-azabicyclo[2.2.2]octan-3-yl) 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 177.2
[M+Na]+ 359.17300 188.4
[M+NH4]+ 354.21760 188.4
[M+K]+ 375.14694 178.4
[M-H]- 335.17650 179.6
[M+Na-2H]- 357.15845 180.5
[M]+ 336.18323 179.6
[M]- 336.18433 179.6
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.