CID 15954004

[9-[2-(1h-indol-3-yl)ethylamino]-9,9a-dihydroacridin-4-yl]-morpholino-methanone

Structural Information

Molecular Formula
C28H28N4O2
SMILES
C1COCCN1C(=O)C2=CC=CC3C2=NC4=CC=CC=C4C3NCCC5=CNC6=CC=CC=C65
InChI
InChI=1S/C28H28N4O2/c33-28(32-14-16-34-17-15-32)23-9-5-8-22-26(21-7-2-4-11-25(21)31-27(22)23)29-13-12-19-18-30-24-10-3-1-6-20(19)24/h1-11,18,22,26,29-30H,12-17H2
InChIKey
OJWLPWZMVXDBAA-UHFFFAOYSA-N
Compound name
[9-[2-(1H-indol-3-yl)ethylamino]-9,9a-dihydroacridin-4-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

452.22122 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.22850 206.2
[M+Na]+ 475.21044 210.4
[M-H]- 451.21394 212.4
[M+NH4]+ 470.25504 211.9
[M+K]+ 491.18438 202.7
[M+H-H2O]+ 435.21848 193.2
[M+HCOO]- 497.21942 216.2
[M+CH3COO]- 511.23507 211.9
[M+Na-2H]- 473.19589 208.3
[M]+ 452.22067 202.2
[M]- 452.22177 202.2
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

No patent data available for this compound.