CID 60519

Dtxsid00920597

Structural Information

Molecular Formula
C21H21NO2
SMILES
C1CN2CCC1C(=O)C2=CC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C21H21NO2/c23-21-18-10-12-22(13-11-18)20(21)14-16-6-8-19(9-7-16)24-15-17-4-2-1-3-5-17/h1-9,14,18H,10-13,15H2
InChIKey
ZYJQSYJBKVJHJK-UHFFFAOYSA-N
Compound name
2-[(4-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15723 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.164506 171.8
[M+Na]+ 342.146448 175.1
[M-H]- 318.149954 172.7
[M+NH4]+ 337.191053 188.4
[M+K]+ 358.120388 169.4
[M+H-H2O]+ 302.154490 162.1
[M+HCOO]- 364.155431 182.0
[M+CH3COO]- 378.171081 179.8
[M+Na-2H]- 340.131896 180.2
[M]+ 319.15668142 172.1
[M]- 319.15777858 172.1
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.