PubChemLite - 2734204-79-4 (C24H34N6O2S)

Structural Information

Molecular Formula

SMILES

CC(C)NC(=O)CN(C)C1=NC(=NC2=C1CCC2)C3=NC=CC(=C3)OCCN4CCSCC4

InChI

InChI=1S/C24H34N6O2S/c1-17(2)26-22(31)16-29(3)24-19-5-4-6-20(19)27-23(28-24)21-15-18(7-8-25-21)32-12-9-30-10-13-33-14-11-30/h7-8,15,17H,4-6,9-14,16H2,1-3H3,(H,26,31)

InChIKey

GBMIEZXDNROMQU-UHFFFAOYSA-N

Compound name

2-[methyl-[2-[4-(2-thiomorpholin-4-ylethoxy)pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide

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]+	471.25368	210.1
[M+Na]+	493.23562	211.6
[M-H]-	469.23912	215.0
[M+NH4]+	488.28022	215.3
[M+K]+	509.20956	207.1
[M+H-H2O]+	453.24366	198.5
[M+HCOO]-	515.24460	218.3
[M+CH3COO]-	529.26025	215.2
[M+Na-2H]-	491.22107	207.3
[M]+	470.24585	210.4
[M]-	470.24695	210.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.25368

210.1

[M+Na]+

493.23562

211.6

[M-H]-

469.23912

215.0

[M+NH4]+

488.28022

215.3

[M+K]+

509.20956

207.1

[M+H-H2O]+

453.24366

198.5

[M+HCOO]-

515.24460

218.3

[M+CH3COO]-

529.26025

215.2

[M+Na-2H]-

491.22107

207.3

[M]+

470.24585

210.4

[M]-

470.24695

210.4

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

2734204-79-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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