CID 208252

31842-23-6

Structural Information

Molecular Formula
C22H26N2O
SMILES
C1CN2CCC1C(C2)NCC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H26N2O/c25-22(19-9-5-2-6-10-19)20(17-7-3-1-4-8-17)15-23-21-16-24-13-11-18(21)12-14-24/h1-10,18,20-21,23H,11-16H2
InChIKey
DDLAHAHXSPIZQL-UHFFFAOYSA-N
Compound name
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,2-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

334.2045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.211776 174.1
[M+Na]+ 357.193718 173.4
[M-H]- 333.197224 173.8
[M+NH4]+ 352.238323 189.0
[M+K]+ 373.167658 168.5
[M+H-H2O]+ 317.201760 164.4
[M+HCOO]- 379.202701 182.6
[M+CH3COO]- 393.218351 180.4
[M+Na-2H]- 355.179166 182.0
[M]+ 334.20395142 171.5
[M]- 334.20504858 171.5
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