PubChemLite - Schembl13327403 (C25H32Cl2N6O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCCC(C)NC1=CC(=NC2=NC(=CN=C12)C3=CC(=C(C=C3)Cl)Cl)NC(=O)OCC

InChI

InChI=1S/C25H32Cl2N6O2/c1-5-33(6-2)12-8-9-16(4)29-20-14-22(32-25(34)35-7-3)31-24-23(20)28-15-21(30-24)17-10-11-18(26)19(27)13-17/h10-11,13-16H,5-9,12H2,1-4H3,(H2,29,30,31,32,34)

InChIKey

GGHRGENORAJQQA-UHFFFAOYSA-N

Compound name

ethyl N-[3-(3,4-dichlorophenyl)-8-[5-(diethylamino)pentan-2-ylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate

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]+	519.20363	224.7
[M+Na]+	541.18557	230.2
[M-H]-	517.18907	228.2
[M+NH4]+	536.23017	229.3
[M+K]+	557.15951	223.9
[M+H-H2O]+	501.19361	213.5
[M+HCOO]-	563.19455	233.6
[M+CH3COO]-	577.21020	254.8
[M+Na-2H]-	539.17102	224.8
[M]+	518.19580	233.4
[M]-	518.19690	233.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.20363

224.7

[M+Na]+

541.18557

230.2

[M-H]-

517.18907

228.2

[M+NH4]+

536.23017

229.3

[M+K]+

557.15951

223.9

[M+H-H2O]+

501.19361

213.5

[M+HCOO]-

563.19455

233.6

[M+CH3COO]-

577.21020

254.8

[M+Na-2H]-

539.17102

224.8

[M]+

518.19580

233.4

[M]-

518.19690

233.4

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

Schembl13327403

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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