CID 28932

Pipoxolan

Structural Information

Molecular Formula
C22H25NO3
SMILES
C1CCN(CC1)CCC2OC(=O)C(O2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H25NO3/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)26-20(25-21)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChIKey
DXSUDONPFZKWOO-UHFFFAOYSA-N
Compound name
5,5-diphenyl-2-(2-piperidin-1-ylethyl)-1,3-dioxolan-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

800
Patents

351.18344 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 185.7
[M+Na]+ 374.17266 199.3
[M+NH4]+ 369.21726 195.2
[M+K]+ 390.14660 191.2
[M-H]- 350.17616 195.4
[M+Na-2H]- 372.15811 195.1
[M]+ 351.18289 190.6
[M]- 351.18399 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe