PubChemLite - 19270-41-8 (C28H31ClN6O4S)

Structural Information

Molecular Formula

SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCNC2=CC(=NC3=NC(=CN=C23)C4=CC=C(C=C4)Cl)NC(=O)OCC

InChI

InChI=1S/C28H31ClN6O4S/c1-4-35(5-2)40(37,38)22-13-7-19(8-14-22)15-16-30-23-17-25(34-28(36)39-6-3)33-27-26(23)31-18-24(32-27)20-9-11-21(29)12-10-20/h7-14,17-18H,4-6,15-16H2,1-3H3,(H2,30,32,33,34,36)

InChIKey

YOBYISHAIVMGFG-UHFFFAOYSA-N

Compound name

ethyl N-[3-(4-chlorophenyl)-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]+	583.18888	235.9
[M+Na]+	605.17082	241.0
[M-H]-	581.17432	243.2
[M+NH4]+	600.21542	236.9
[M+K]+	621.14476	234.6
[M+H-H2O]+	565.17886	223.8
[M+HCOO]-	627.17980	245.0
[M+CH3COO]-	641.19545	262.0
[M+Na-2H]-	603.15627	239.8
[M]+	582.18105	244.8
[M]-	582.18215	244.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

583.18888

235.9

[M+Na]+

605.17082

241.0

[M-H]-

581.17432

243.2

[M+NH4]+

600.21542

236.9

[M+K]+

621.14476

234.6

[M+H-H2O]+

565.17886

223.8

[M+HCOO]-

627.17980

245.0

[M+CH3COO]-

641.19545

262.0

[M+Na-2H]-

603.15627

239.8

[M]+

582.18105

244.8

[M]-

582.18215

244.8

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

19270-41-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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