PubChemLite - Elacridar (C34H33N3O5)

Structural Information

Molecular Formula

SMILES

COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC

InChI

InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)

InChIKey

OSFCMRGOZNQUSW-UHFFFAOYSA-N

Compound name

N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide

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]+	564.24928	242.5
[M+Na]+	586.23122	259.7
[M+NH4]+	581.27582	248.3
[M+K]+	602.20516	249.3
[M-H]-	562.23472	249.8
[M+Na-2H]-	584.21667	249.2
[M]+	563.24145	247.2
[M]-	563.24255	247.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

564.24928

242.5

[M+Na]+

586.23122

259.7

[M+NH4]+

581.27582

248.3

[M+K]+

602.20516

249.3

[M-H]-

562.23472

249.8

[M+Na-2H]-

584.21667

249.2

[M]+

563.24145

247.2

[M]-

563.24255

247.2

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

Elacridar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe