PubChemLite - Pf-06873600 (C20H27F2N5O4S)

Structural Information

Molecular Formula

SMILES

C[C@]1(CCC[C@H]1N2C3=NC(=NC=C3C=C(C2=O)C(F)F)NC4CCN(CC4)S(=O)(=O)C)O

InChI

InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1

InChIKey

QIEKHLDZKRQLLN-FOIQADDNSA-N

Compound name

6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one

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]+	472.18245	207.0
[M+Na]+	494.16439	213.7
[M-H]-	470.16789	208.2
[M+NH4]+	489.20899	213.7
[M+K]+	510.13833	207.9
[M+H-H2O]+	454.17243	196.7
[M+HCOO]-	516.17337	210.0
[M+CH3COO]-	530.18902	232.4
[M+Na-2H]-	492.14984	205.2
[M]+	471.17462	203.7
[M]-	471.17572	203.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.18245

207.0

[M+Na]+

494.16439

213.7

[M-H]-

470.16789

208.2

[M+NH4]+

489.20899

213.7

[M+K]+

510.13833

207.9

[M+H-H2O]+

454.17243

196.7

[M+HCOO]-

516.17337

210.0

[M+CH3COO]-

530.18902

232.4

[M+Na-2H]-

492.14984

205.2

[M]+

471.17462

203.7

[M]-

471.17572

203.7

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

Pf-06873600

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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