CID 11618187

Chembl205611

Structural Information

Molecular Formula
C25H23N3O2
SMILES
CN1CCN(CC1)C(=O)C2=CC3=C(C4=CC=CC=C4N=C3C=C2)OC5=CC=CC=C5
InChI
InChI=1S/C25H23N3O2/c1-27-13-15-28(16-14-27)25(29)18-11-12-23-21(17-18)24(30-19-7-3-2-4-8-19)20-9-5-6-10-22(20)26-23/h2-12,17H,13-16H2,1H3
InChIKey
FLONJMXROIQCQL-UHFFFAOYSA-N
Compound name
(4-methylpiperazin-1-yl)-(9-phenoxyacridin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.17902 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18630 198.8
[M+Na]+ 420.16824 205.3
[M-H]- 396.17174 205.0
[M+NH4]+ 415.21284 206.3
[M+K]+ 436.14218 197.7
[M+H-H2O]+ 380.17628 184.8
[M+HCOO]- 442.17722 211.8
[M+CH3COO]- 456.19287 206.1
[M+Na-2H]- 418.15369 202.9
[M]+ 397.17847 197.0
[M]- 397.17957 197.0
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.