CID 486987

3-(dimethylamino)-5-ethyl-6-methyl-4-[(pyrimidin-2-ylamino)methyl]-1h-pyridin-2-one

Structural Information

Molecular Formula

C₁₅H₂₁N₅O

SMILES

CCC1=C(NC(=O)C(=C1CNC2=NC=CC=N2)N(C)C)C

InChI

InChI=1S/C15H21N5O/c1-5-11-10(2)19-14(21)13(20(3)4)12(11)9-18-15-16-7-6-8-17-15/h6-8H,5,9H2,1-4H3,(H,19,21)(H,16,17,18)

InChIKey

UWELALQOIZFVPI-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-5-ethyl-6-methyl-4-[(pyrimidin-2-ylamino)methyl]-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.17462 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

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]+	288.181896	170.1
[M+Na]+	310.163838	178.3
[M-H]-	286.167344	173.5
[M+NH4]+	305.208443	181.6
[M+K]+	326.137778	173.7
[M+H-H2O]+	270.171880	160.0
[M+HCOO]-	332.172821	191.5
[M+CH3COO]-	346.188471	210.0
[M+Na-2H]-	308.149286	174.6
[M]+	287.17407142	171.4
[M]-	287.17516858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.