CID 11583845

Chembl425045

Structural Information

Molecular Formula
C30H32N4O2
SMILES
C1CN(CCC1NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)N5CCOCC5)CC6=CC=CC=C6
InChI
InChI=1S/C30H32N4O2/c35-30(34-17-19-36-20-18-34)26-11-6-10-25-28(24-9-4-5-12-27(24)32-29(25)26)31-23-13-15-33(16-14-23)21-22-7-2-1-3-8-22/h1-12,23H,13-21H2,(H,31,32)
InChIKey
MJOHBXRYOBCFRN-UHFFFAOYSA-N
Compound name
[9-[(1-benzylpiperidin-4-yl)amino]acridin-4-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

480.25253 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.25981 217.1
[M+Na]+ 503.24175 218.7
[M-H]- 479.24525 224.8
[M+NH4]+ 498.28635 218.4
[M+K]+ 519.21569 211.5
[M+H-H2O]+ 463.24979 200.9
[M+HCOO]- 525.25073 225.2
[M+CH3COO]- 539.26638 221.0
[M+Na-2H]- 501.22720 219.0
[M]+ 480.25198 209.8
[M]- 480.25308 209.8
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.