PubChemLite - Ethyl n-[2,3-diphenyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate (C29H26N6O4S)

Structural Information

Molecular Formula

SMILES

CCOC(=O)NC1=NC2=C(C(=C1)NCC3=CC=C(C=C3)S(=O)(=O)N)N=C(C(=N2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H26N6O4S/c1-2-39-29(36)33-24-17-23(31-18-19-13-15-22(16-14-19)40(30,37)38)27-28(32-24)35-26(21-11-7-4-8-12-21)25(34-27)20-9-5-3-6-10-20/h3-17H,2,18H2,1H3,(H2,30,37,38)(H2,31,32,33,35,36)

InChIKey

PCOMBCWVWDHXGJ-UHFFFAOYSA-N

Compound name

ethyl N-[2,3-diphenyl-8-[(4-sulfamoylphenyl)methylamino]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]+	555.18093	228.7
[M+Na]+	577.16287	233.9
[M-H]-	553.16637	237.3
[M+NH4]+	572.20747	228.2
[M+K]+	593.13681	226.3
[M+H-H2O]+	537.17091	215.5
[M+HCOO]-	599.17185	241.8
[M+CH3COO]-	613.18750	233.6
[M+Na-2H]-	575.14832	234.8
[M]+	554.17310	230.5
[M]-	554.17420	230.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

555.18093

228.7

[M+Na]+

577.16287

233.9

[M-H]-

553.16637

237.3

[M+NH4]+

572.20747

228.2

[M+K]+

593.13681

226.3

[M+H-H2O]+

537.17091

215.5

[M+HCOO]-

599.17185

241.8

[M+CH3COO]-

613.18750

233.6

[M+Na-2H]-

575.14832

234.8

[M]+

554.17310

230.5

[M]-

554.17420

230.5

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

Ethyl n-[2,3-diphenyl-8-[(4-sulfamoylphenyl)methylamino]pyrido[2,3-b]pyrazin-6-yl]carbamate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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