CID 15953973

(4-methylpiperazin-1-yl)-(9-phenoxy-9,9a-dihydroacridin-4-yl)methanone

Structural Information

Molecular Formula
C25H25N3O2
SMILES
CN1CCN(CC1)C(=O)C2=CC=CC3C2=NC4=CC=CC=C4C3OC5=CC=CC=C5
InChI
InChI=1S/C25H25N3O2/c1-27-14-16-28(17-15-27)25(29)21-12-7-11-20-23(21)26-22-13-6-5-10-19(22)24(20)30-18-8-3-2-4-9-18/h2-13,20,24H,14-17H2,1H3
InChIKey
NBSTURJBNVUXEO-UHFFFAOYSA-N
Compound name
(4-methylpiperazin-1-yl)-(9-phenoxy-9,9a-dihydroacridin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.19467 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20195 199.7
[M+Na]+ 422.18389 204.1
[M-H]- 398.18739 205.1
[M+NH4]+ 417.22849 206.9
[M+K]+ 438.15783 196.9
[M+H-H2O]+ 382.19193 185.6
[M+HCOO]- 444.19287 209.9
[M+CH3COO]- 458.20852 206.0
[M+Na-2H]- 420.16934 201.8
[M]+ 399.19412 195.1
[M]- 399.19522 195.1
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.