CID 218390

40536-26-3

Structural Information

Molecular Formula
C28H35N3O4
SMILES
C1CC2=CC=CC=C2C3(C4=CC=CC=C41)OCC(O3)CN5CCN(CC5)CC(=O)N6CCOCC6
InChI
InChI=1S/C28H35N3O4/c32-27(31-15-17-33-18-16-31)20-30-13-11-29(12-14-30)19-24-21-34-28(35-24)25-7-3-1-5-22(25)9-10-23-6-2-4-8-26(23)28/h1-8,24H,9-21H2
InChIKey
LJWGROOIZBOVNM-UHFFFAOYSA-N
Compound name
1-morpholin-4-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

477.26276 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.27004 227.4
[M+Na]+ 500.25198 236.9
[M+NH4]+ 495.29658 234.3
[M+K]+ 516.22592 230.8
[M-H]- 476.25548 235.4
[M+Na-2H]- 498.23743 229.3
[M]+ 477.26221 231.1
[M]- 477.26331 231.1
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.