CID 218392

40536-27-4

Structural Information

Molecular Formula
C28H35N3O3
SMILES
C1CCN(C1)C(=O)CN2CCN(CC2)CC3COC4(O3)C5=CC=CC=C5CCC6=CC=CC=C46
InChI
InChI=1S/C28H35N3O3/c32-27(31-13-5-6-14-31)20-30-17-15-29(16-18-30)19-24-21-33-28(34-24)25-9-3-1-7-22(25)11-12-23-8-2-4-10-26(23)28/h1-4,7-10,24H,5-6,11-21H2
InChIKey
ZHXYNKPTXYQUDG-UHFFFAOYSA-N
Compound name
1-pyrrolidin-1-yl-2-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.26785 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.27513 220.8
[M+Na]+ 484.25707 229.6
[M+NH4]+ 479.30167 228.3
[M+K]+ 500.23101 225.0
[M-H]- 460.26057 227.6
[M+Na-2H]- 482.24252 223.2
[M]+ 461.26730 224.0
[M]- 461.26840 224.0
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.