PubChemLite - 16335-98-1 (C35H29N5O2)

Structural Information

Molecular Formula

SMILES

CCOC(=O)NC1=NC2=C(C(=C1)NC(C3=CC=CC=C3)C4=CC=CC=C4)N=C(C(=N2)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H29N5O2/c1-2-42-35(41)38-29-23-28(36-30(24-15-7-3-8-16-24)25-17-9-4-10-18-25)33-34(37-29)40-32(27-21-13-6-14-22-27)31(39-33)26-19-11-5-12-20-26/h3-23,30H,2H2,1H3,(H2,36,37,38,40,41)

InChIKey

SGPMUSUTOOSHOY-UHFFFAOYSA-N

Compound name

ethyl N-[8-(benzhydrylamino)-2,3-diphenylpyrido[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]+	552.23938	233.0
[M+Na]+	574.22132	235.5
[M-H]-	550.22482	243.4
[M+NH4]+	569.26592	231.2
[M+K]+	590.19526	226.6
[M+H-H2O]+	534.22936	216.2
[M+HCOO]-	596.23030	248.4
[M+CH3COO]-	610.24595	236.9
[M+Na-2H]-	572.20677	237.4
[M]+	551.23155	230.9
[M]-	551.23265	230.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

552.23938

233.0

[M+Na]+

574.22132

235.5

[M-H]-

550.22482

243.4

[M+NH4]+

569.26592

231.2

[M+K]+

590.19526

226.6

[M+H-H2O]+

534.22936

216.2

[M+HCOO]-

596.23030

248.4

[M+CH3COO]-

610.24595

236.9

[M+Na-2H]-

572.20677

237.4

[M]+

551.23155

230.9

[M]-

551.23265

230.9

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

16335-98-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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