CID 489269

Methyl 6-methyl-4-(o-tolyl)-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate

Structural Information

Molecular Formula

C₁₉H₁₉N₃O₂

SMILES

CC1=CC=CC=C1C2C(=C(NC(=N2)C3=CC=CC=N3)C)C(=O)OC

InChI

InChI=1S/C19H19N3O2/c1-12-8-4-5-9-14(12)17-16(19(23)24-3)13(2)21-18(22-17)15-10-6-7-11-20-15/h4-11,17H,1-3H3,(H,21,22)

InChIKey

GXPWGWTYBDESEY-UHFFFAOYSA-N

Compound name

methyl 6-methyl-4-(2-methylphenyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 321.14774 Da
Monoisotopic Mass: 2.5
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]+	322.155016	178.7
[M+Na]+	344.136958	186.5
[M-H]-	320.140464	183.2
[M+NH4]+	339.181563	187.8
[M+K]+	360.110898	180.3
[M+H-H2O]+	304.145000	167.6
[M+HCOO]-	366.145941	195.1
[M+CH3COO]-	380.161591	188.1
[M+Na-2H]-	342.122406	181.0
[M]+	321.14719142	177.9
[M]-	321.14828858	177.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe