CID 16729342

(4-methylpiperazin-1-yl)-(9-phenoxyacridin-1-yl)methanone

Structural Information

Molecular Formula
C25H23N3O2
SMILES
CN1CCN(CC1)C(=O)C2=CC=CC3=NC4=CC=CC=C4C(=C32)OC5=CC=CC=C5
InChI
InChI=1S/C25H23N3O2/c1-27-14-16-28(17-15-27)25(29)20-11-7-13-22-23(20)24(30-18-8-3-2-4-9-18)19-10-5-6-12-21(19)26-22/h2-13H,14-17H2,1H3
InChIKey
IPKVZTRXFSKQCP-UHFFFAOYSA-N
Compound name
(4-methylpiperazin-1-yl)-(9-phenoxyacridin-1-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]+ 398.186296 198.8
[M+Na]+ 420.168238 205.3
[M-H]- 396.171744 205.0
[M+NH4]+ 415.212843 206.3
[M+K]+ 436.142178 197.7
[M+H-H2O]+ 380.176280 184.8
[M+HCOO]- 442.177221 211.8
[M+CH3COO]- 456.192871 206.1
[M+Na-2H]- 418.153686 202.9
[M]+ 397.17847142 197.0
[M]- 397.17956858 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.