CID 60519

111896-93-6

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]+ 320.16451 171.8
[M+Na]+ 342.14645 175.1
[M-H]- 318.14995 172.7
[M+NH4]+ 337.19105 188.4
[M+K]+ 358.12039 169.4
[M+H-H2O]+ 302.15449 162.1
[M+HCOO]- 364.15543 182.0
[M+CH3COO]- 378.17108 179.8
[M+Na-2H]- 340.13190 180.2
[M]+ 319.15668 172.1
[M]- 319.15778 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.