PubChemLite - Schembl13327401 (C25H33ClN6O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H33ClN6O2/c1-5-32(6-2)14-8-9-17(4)28-20-15-22(31-25(33)34-7-3)30-24-23(20)27-16-21(29-24)18-10-12-19(26)13-11-18/h10-13,15-17H,5-9,14H2,1-4H3,(H2,28,29,30,31,33)

InChIKey

BXDGTXQMNPPOKY-UHFFFAOYSA-N

Compound name

ethyl N-[3-(4-chlorophenyl)-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]+	485.24263	220.0
[M+Na]+	507.22457	224.3
[M-H]-	483.22807	223.9
[M+NH4]+	502.26917	225.0
[M+K]+	523.19851	218.7
[M+H-H2O]+	467.23261	207.9
[M+HCOO]-	529.23355	233.8
[M+CH3COO]-	543.24920	250.3
[M+Na-2H]-	505.21002	221.5
[M]+	484.23480	226.8
[M]-	484.23590	226.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.24263

220.0

[M+Na]+

507.22457

224.3

[M-H]-

483.22807

223.9

[M+NH4]+

502.26917

225.0

[M+K]+

523.19851

218.7

[M+H-H2O]+

467.23261

207.9

[M+HCOO]-

529.23355

233.8

[M+CH3COO]-

543.24920

250.3

[M+Na-2H]-

505.21002

221.5

[M]+

484.23480

226.8

[M]-

484.23590

226.8

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

Schembl13327401

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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