PubChemLite - [9-[2-(1h-indol-3-yl)ethylamino]-9,9a-dihydroacridin-2-yl]-(4-methylpiperazin-1-yl)methanone (C29H31N5O)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C(=O)C2=CC3C(C4=CC=CC=C4N=C3C=C2)NCCC5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H31N5O/c1-33-14-16-34(17-15-33)29(35)20-10-11-27-24(18-20)28(23-7-3-5-9-26(23)32-27)30-13-12-21-19-31-25-8-4-2-6-22(21)25/h2-11,18-19,24,28,30-31H,12-17H2,1H3

InChIKey

VGVHCYYFHUBQHE-UHFFFAOYSA-N

Compound name

[9-[2-(1H-indol-3-yl)ethylamino]-9,9a-dihydroacridin-2-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]+	466.26015	213.4
[M+Na]+	488.24209	217.8
[M-H]-	464.24559	217.8
[M+NH4]+	483.28669	218.7
[M+K]+	504.21603	207.9
[M+H-H2O]+	448.25013	199.6
[M+HCOO]-	510.25107	222.3
[M+CH3COO]-	524.26672	218.1
[M+Na-2H]-	486.22754	214.0
[M]+	465.25232	208.7
[M]-	465.25342	208.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.26015

213.4

[M+Na]+

488.24209

217.8

[M-H]-

464.24559

217.8

[M+NH4]+

483.28669

218.7

[M+K]+

504.21603

207.9

[M+H-H2O]+

448.25013

199.6

[M+HCOO]-

510.25107

222.3

[M+CH3COO]-

524.26672

218.1

[M+Na-2H]-

486.22754

214.0

[M]+

465.25232

208.7

[M]-

465.25342

208.7

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

[9-[2-(1h-indol-3-yl)ethylamino]-9,9a-dihydroacridin-2-yl]-(4-methylpiperazin-1-yl)methanone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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