CID 218406

40536-37-6

Structural Information

Molecular Formula
C28H33N3O4
SMILES
C1CN(CCN1CC2COC3(O2)C4=CC=CC=C4C=CC5=CC=CC=C35)CC(=O)N6CCOCC6
InChI
InChI=1S/C28H33N3O4/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/h1-10,24H,11-21H2
InChIKey
CKHCLYRYSWZNHI-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),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.2471 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.25438 226.2
[M+Na]+ 498.23632 236.5
[M+NH4]+ 493.28092 233.1
[M+K]+ 514.21026 230.2
[M-H]- 474.23982 234.4
[M+Na-2H]- 496.22177 228.8
[M]+ 475.24655 230.1
[M]- 475.24765 230.1
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.