PubChemLite - [9-[(1-benzyl-4-piperidyl)amino]-9,9a-dihydroacridin-4-yl]-(4-methylpiperazin-1-yl)methanone (C31H37N5O)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C(=O)C2=CC=CC3C2=NC4=CC=CC=C4C3NC5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C31H37N5O/c1-34-18-20-36(21-19-34)31(37)27-12-7-11-26-29(25-10-5-6-13-28(25)33-30(26)27)32-24-14-16-35(17-15-24)22-23-8-3-2-4-9-23/h2-13,24,26,29,32H,14-22H2,1H3

InChIKey

AFOLXRINDZSAMB-UHFFFAOYSA-N

Compound name

[9-[(1-benzylpiperidin-4-yl)amino]-9,9a-dihydroacridin-4-yl]-(4-methylpiperazin-1-yl)methanone

Related CIDs

2D Structure

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]+	496.30708	224.4
[M+Na]+	518.28902	224.4
[M-H]-	494.29252	229.4
[M+NH4]+	513.33362	225.2
[M+K]+	534.26296	215.1
[M+H-H2O]+	478.29706	207.4
[M+HCOO]-	540.29800	228.8
[M+CH3COO]-	554.31365	226.4
[M+Na-2H]-	516.27447	222.9
[M]+	495.29925	213.7
[M]-	495.30035	213.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.30708

224.4

[M+Na]+

518.28902

224.4

[M-H]-

494.29252

229.4

[M+NH4]+

513.33362

225.2

[M+K]+

534.26296

215.1

[M+H-H2O]+

478.29706

207.4

[M+HCOO]-

540.29800

228.8

[M+CH3COO]-

554.31365

226.4

[M+Na-2H]-

516.27447

222.9

[M]+

495.29925

213.7

[M]-

495.30035

213.7

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

[9-[(1-benzyl-4-piperidyl)amino]-9,9a-dihydroacridin-4-yl]-(4-methylpiperazin-1-yl)methanone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe