PubChemLite - 4-pyrimidineacetamide, 2-(4-chlorophenyl)-n-hydroxy-6-((4-(4-morpholinylcarbonyl)phenyl)amino)- (C23H22ClN5O4)

Structural Information

Molecular Formula

SMILES

C1COCCN1C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=C3)CC(=O)NO)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN5O4/c24-17-5-1-15(2-6-17)22-26-19(14-21(30)28-32)13-20(27-22)25-18-7-3-16(4-8-18)23(31)29-9-11-33-12-10-29/h1-8,13,32H,9-12,14H2,(H,28,30)(H,25,26,27)

InChIKey

LURXQNRNYDAQOY-UHFFFAOYSA-N

Compound name

2-[2-(4-chlorophenyl)-6-[4-(morpholine-4-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]+	468.14330	209.2
[M+Na]+	490.12524	212.9
[M-H]-	466.12874	216.3
[M+NH4]+	485.16984	210.1
[M+K]+	506.09918	207.5
[M+H-H2O]+	450.13328	196.1
[M+HCOO]-	512.13422	218.7
[M+CH3COO]-	526.14987	214.8
[M+Na-2H]-	488.11069	210.8
[M]+	467.13547	207.7
[M]-	467.13657	207.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.14330

209.2

[M+Na]+

490.12524

212.9

[M-H]-

466.12874

216.3

[M+NH4]+

485.16984

210.1

[M+K]+

506.09918

207.5

[M+H-H2O]+

450.13328

196.1

[M+HCOO]-

512.13422

218.7

[M+CH3COO]-

526.14987

214.8

[M+Na-2H]-

488.11069

210.8

[M]+

467.13547

207.7

[M]-

467.13657

207.7

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-(4-morpholinylcarbonyl)phenyl)amino)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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