PubChemLite - 4-pyrimidineacetamide, 2-(4-chlorophenyl)-n-hydroxy-6-((4-(1-piperidinylcarbonyl)phenyl)amino)- (C24H24ClN5O3)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=C3)CC(=O)NO)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN5O3/c25-18-8-4-16(5-9-18)23-27-20(15-22(31)29-33)14-21(28-23)26-19-10-6-17(7-11-19)24(32)30-12-2-1-3-13-30/h4-11,14,33H,1-3,12-13,15H2,(H,29,31)(H,26,27,28)

InChIKey

KRSOEMJRJCBHAJ-UHFFFAOYSA-N

Compound name

2-[2-(4-chlorophenyl)-6-[4-(piperidine-1-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide

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]+	466.16405	208.3
[M+Na]+	488.14599	211.6
[M-H]-	464.14949	214.5
[M+NH4]+	483.19059	210.7
[M+K]+	504.11993	204.2
[M+H-H2O]+	448.15403	195.4
[M+HCOO]-	510.15497	218.3
[M+CH3COO]-	524.17062	213.7
[M+Na-2H]-	486.13144	209.2
[M]+	465.15622	205.1
[M]-	465.15732	205.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.16405

208.3

[M+Na]+

488.14599

211.6

[M-H]-

464.14949

214.5

[M+NH4]+

483.19059

210.7

[M+K]+

504.11993

204.2

[M+H-H2O]+

448.15403

195.4

[M+HCOO]-

510.15497

218.3

[M+CH3COO]-

524.17062

213.7

[M+Na-2H]-

486.13144

209.2

[M]+

465.15622

205.1

[M]-

465.15732

205.1

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

4-pyrimidineacetamide, 2-(4-chlorophenyl)-n-hydroxy-6-((4-(1-piperidinylcarbonyl)phenyl)amino)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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