PubChemLite - Azd-3783 (C26H34N4O4)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C2=CC(=CC3=C2O[C@H](CC3)C(=O)NC4=CC=C(C=C4)N5CCOCC5)OC

InChI

InChI=1S/C26H34N4O4/c1-28-9-11-30(12-10-28)23-18-22(32-2)17-19-3-8-24(34-25(19)23)26(31)27-20-4-6-21(7-5-20)29-13-15-33-16-14-29/h4-7,17-18,24H,3,8-16H2,1-2H3,(H,27,31)/t24-/m1/s1

InChIKey

SKOWCFJEXPLGNE-XMMPIXPASA-N

Compound name

(2R)-6-methoxy-8-(4-methylpiperazin-1-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-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]+	467.26528	217.5
[M+Na]+	489.24722	229.6
[M+NH4]+	484.29182	223.1
[M+K]+	505.22116	222.9
[M-H]-	465.25072	226.6
[M+Na-2H]-	487.23267	221.9
[M]+	466.25745	221.6
[M]-	466.25855	221.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.26528

217.5

[M+Na]+

489.24722

229.6

[M+NH4]+

484.29182

223.1

[M+K]+

505.22116

222.9

[M-H]-

465.25072

226.6

[M+Na-2H]-

487.23267

221.9

[M]+

466.25745

221.6

[M]-

466.25855

221.6

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

Azd-3783

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe