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]+ 322.18016 177.8
[M+Na]+ 344.16210 183.1
[M-H]- 320.16560 186.5
[M+NH4]+ 339.20670 193.1
[M+K]+ 360.13604 178.6
[M+H-H2O]+ 304.17014 168.0
[M+HCOO]- 366.17108 194.2
[M+CH3COO]- 380.18673 187.7
[M+Na-2H]- 342.14755 180.3
[M]+ 321.17233 174.5
[M]- 321.17343 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.