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

1
Patents

334.2045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 174.1
[M+Na]+ 357.19372 173.4
[M-H]- 333.19722 173.8
[M+NH4]+ 352.23832 189.0
[M+K]+ 373.16766 168.5
[M+H-H2O]+ 317.20176 164.4
[M+HCOO]- 379.20270 182.6
[M+CH3COO]- 393.21835 180.4
[M+Na-2H]- 355.17917 182.0
[M]+ 334.20395 171.5
[M]- 334.20505 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