CID 11553026

Chembl383524

Structural Information

Molecular Formula

C₂₅H₂₃N₃O₂

SMILES

CN1CCN(CC1)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)OC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2/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/h2-13H,14-17H2,1H3

InChIKey

LXVPMKZOJJYDBP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 397.17902 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe