PubChemLite - Pf-06952229 (C23H24ClFN4O3)

Structural Information

Molecular Formula

SMILES

CC(C)C1=CN=C(C=C1NC2=C(C=NC=C2)C(=O)NC(CO)CO)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C23H24ClFN4O3/c1-13(2)17-10-27-21(16-7-14(24)3-4-19(16)25)8-22(17)29-20-5-6-26-9-18(20)23(32)28-15(11-30)12-31/h3-10,13,15,30-31H,11-12H2,1-2H3,(H,28,32)(H,26,27,29)

InChIKey

IPBLCOKXDQHSQW-UHFFFAOYSA-N

Compound name

4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-ylpyridin-4-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-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]+	459.15938	207.2
[M+Na]+	481.14132	212.7
[M-H]-	457.14482	210.5
[M+NH4]+	476.18592	211.7
[M+K]+	497.11526	205.7
[M+H-H2O]+	441.14936	196.1
[M+HCOO]-	503.15030	218.4
[M+CH3COO]-	517.16595	235.4
[M+Na-2H]-	479.12677	205.7
[M]+	458.15155	208.0
[M]-	458.15265	208.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.15938

207.2

[M+Na]+

481.14132

212.7

[M-H]-

457.14482

210.5

[M+NH4]+

476.18592

211.7

[M+K]+

497.11526

205.7

[M+H-H2O]+

441.14936

196.1

[M+HCOO]-

503.15030

218.4

[M+CH3COO]-

517.16595

235.4

[M+Na-2H]-

479.12677

205.7

[M]+

458.15155

208.0

[M]-

458.15265

208.0

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

Pf-06952229

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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