CID 45312

Ap 59

Structural Information

Molecular Formula
C21H23NO2
SMILES
C1CCN(CC1)CCC2(C3=CC=CC=C3OC2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H23NO2/c23-20-21(17-9-3-1-4-10-17,13-16-22-14-7-2-8-15-22)18-11-5-6-12-19(18)24-20/h1,3-6,9-12H,2,7-8,13-16H2
InChIKey
QXZIRLROACDSIP-UHFFFAOYSA-N
Compound name
3-phenyl-3-(2-piperidin-1-ylethyl)-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17288 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.180156 177.8
[M+Na]+ 344.162098 183.1
[M-H]- 320.165604 186.5
[M+NH4]+ 339.206703 193.1
[M+K]+ 360.136038 178.6
[M+H-H2O]+ 304.170140 168.0
[M+HCOO]- 366.171081 194.2
[M+CH3COO]- 380.186731 187.7
[M+Na-2H]- 342.147546 180.3
[M]+ 321.17233142 174.5
[M]- 321.17342858 174.5
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

No patent data available for this compound.