PubChemLite - Carbamic acid, [8-[[3-(diethylamino)propyl]methylamino]-2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-, ethyl ester (C24H31FN6O2)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCCN(C)C1=CC(=NC2=NC=C(N=C12)C3=CC=C(C=C3)F)NC(=O)OCC

InChI

InChI=1S/C24H31FN6O2/c1-5-31(6-2)14-8-13-30(4)20-15-21(29-24(32)33-7-3)28-23-22(20)27-19(16-26-23)17-9-11-18(25)12-10-17/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,26,28,29,32)

InChIKey

ROGKFZIQFAZQGV-UHFFFAOYSA-N

Compound name

ethyl N-[8-[3-(diethylamino)propyl-methylamino]-2-(4-fluorophenyl)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]+	455.25655	214.0
[M+Na]+	477.23849	218.5
[M-H]-	453.24199	218.2
[M+NH4]+	472.28309	219.9
[M+K]+	493.21243	214.6
[M+H-H2O]+	437.24653	200.2
[M+HCOO]-	499.24747	233.0
[M+CH3COO]-	513.26312	249.0
[M+Na-2H]-	475.22394	216.1
[M]+	454.24872	218.9
[M]-	454.24982	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.25655

214.0

[M+Na]+

477.23849

218.5

[M-H]-

453.24199

218.2

[M+NH4]+

472.28309

219.9

[M+K]+

493.21243

214.6

[M+H-H2O]+

437.24653

200.2

[M+HCOO]-

499.24747

233.0

[M+CH3COO]-

513.26312

249.0

[M+Na-2H]-

475.22394

216.1

[M]+

454.24872

218.9

[M]-

454.24982

218.9

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

Carbamic acid, [8-[[3-(diethylamino)propyl]methylamino]-2-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-, ethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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