PubChemLite - 853003-48-2 (C20H28N8O4S)

Structural Information

Molecular Formula

SMILES

CCN(C)C1=NC2=C(C(=N1)NC3=NC=CC(=C3)C)N(N=C2C(=O)NS(=O)(=O)C)CCOCC

InChI

InChI=1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)

InChIKey

ZUHZNKJIJDAJFD-UHFFFAOYSA-N

Compound name

1-(2-ethoxyethyl)-5-[ethyl(methyl)amino]-7-[(4-methylpyridin-2-yl)amino]-N-methylsulfonylpyrazolo[4,3-d]pyrimidine-3-carboxamide

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]+	477.20271	209.7
[M+Na]+	499.18465	218.9
[M+NH4]+	494.22925	211.5
[M+K]+	515.15859	215.9
[M-H]-	475.18815	210.1
[M+Na-2H]-	497.17010	213.6
[M]+	476.19488	211.0
[M]-	476.19598	211.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.20271

209.7

[M+Na]+

499.18465

218.9

[M+NH4]+

494.22925

211.5

[M+K]+

515.15859

215.9

[M-H]-

475.18815

210.1

[M+Na-2H]-

497.17010

213.6

[M]+

476.19488

211.0

[M]-

476.19598

211.0

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

853003-48-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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