PubChemLite - Azd5305 (C22H26N6O2)

Structural Information

Molecular Formula

SMILES

CCC1=CC2=C(C=C(C=N2)CN3CCN(CC3)C4=CN=C(C=C4)C(=O)NC)NC1=O

InChI

InChI=1S/C22H26N6O2/c1-3-16-11-19-20(26-21(16)29)10-15(12-24-19)14-27-6-8-28(9-7-27)17-4-5-18(25-13-17)22(30)23-2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,23,30)(H,26,29)

InChIKey

WQAVGRAETZEADU-UHFFFAOYSA-N

Compound name

5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-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]+	407.21901	203.2
[M+Na]+	429.20095	209.0
[M-H]-	405.20445	205.1
[M+NH4]+	424.24555	206.3
[M+K]+	445.17489	200.7
[M+H-H2O]+	389.20899	189.7
[M+HCOO]-	451.20993	213.5
[M+CH3COO]-	465.22558	208.7
[M+Na-2H]-	427.18640	205.1
[M]+	406.21118	199.3
[M]-	406.21228	199.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

407.21901

203.2

[M+Na]+

429.20095

209.0

[M-H]-

405.20445

205.1

[M+NH4]+

424.24555

206.3

[M+K]+

445.17489

200.7

[M+H-H2O]+

389.20899

189.7

[M+HCOO]-

451.20993

213.5

[M+CH3COO]-

465.22558

208.7

[M+Na-2H]-

427.18640

205.1

[M]+

406.21118

199.3

[M]-

406.21228

199.3

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

Azd5305

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe