PubChemLite - Sovleplenib (C24H30N6O3S)

Structural Information

Molecular Formula

SMILES

CS(=O)(=O)N1CCC(CC1)C2=CC=C(C=C2)C3=CC4=NC=CN=C4C(=N3)NC[C@@H]5CNCCO5

InChI

InChI=1S/C24H30N6O3S/c1-34(31,32)30-11-6-18(7-12-30)17-2-4-19(5-3-17)21-14-22-23(27-9-8-26-22)24(29-21)28-16-20-15-25-10-13-33-20/h2-5,8-9,14,18,20,25H,6-7,10-13,15-16H2,1H3,(H,28,29)/t20-/m0/s1

InChIKey

NJIAKNWTIVDSDA-FQEVSTJZSA-N

Compound name

7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

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]+	483.21730	210.4
[M+Na]+	505.19924	223.2
[M+NH4]+	500.24384	215.1
[M+K]+	521.17318	215.2
[M-H]-	481.20274	216.6
[M+Na-2H]-	503.18469	217.5
[M]+	482.20947	214.2
[M]-	482.21057	214.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.21730

210.4

[M+Na]+

505.19924

223.2

[M+NH4]+

500.24384

215.1

[M+K]+

521.17318

215.2

[M-H]-

481.20274

216.6

[M+Na-2H]-

503.18469

217.5

[M]+

482.20947

214.2

[M]-

482.21057

214.2

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

Sovleplenib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe