PubChemLite - 21395-46-0 (C22H28N6O4S)

Structural Information

Molecular Formula

SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCNC2=CC(=NC3=NC=CN=C23)NC(=O)OCC

InChI

InChI=1S/C22H28N6O4S/c1-4-28(5-2)33(30,31)17-9-7-16(8-10-17)11-12-23-18-15-19(27-22(29)32-6-3)26-21-20(18)24-13-14-25-21/h7-10,13-15H,4-6,11-12H2,1-3H3,(H2,23,25,26,27,29)

InChIKey

GGZVCMJWYVFMQC-UHFFFAOYSA-N

Compound name

ethyl N-[8-[2-[4-(diethylsulfamoyl)phenyl]ethylamino]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]+	473.19655	210.6
[M+Na]+	495.17849	215.1
[M-H]-	471.18199	214.8
[M+NH4]+	490.22309	215.2
[M+K]+	511.15243	210.6
[M+H-H2O]+	455.18653	199.3
[M+HCOO]-	517.18747	225.0
[M+CH3COO]-	531.20312	243.1
[M+Na-2H]-	493.16394	216.0
[M]+	472.18872	217.0
[M]-	472.18982	217.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.19655

210.6

[M+Na]+

495.17849

215.1

[M-H]-

471.18199

214.8

[M+NH4]+

490.22309

215.2

[M+K]+

511.15243

210.6

[M+H-H2O]+

455.18653

199.3

[M+HCOO]-

517.18747

225.0

[M+CH3COO]-

531.20312

243.1

[M+Na-2H]-

493.16394

216.0

[M]+

472.18872

217.0

[M]-

472.18982

217.0

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

21395-46-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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