CID 332935

Ethyl 4-(2-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₅

SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=C(C(=CC=C2)OC)O)C

InChI

InChI=1S/C15H18N2O5/c1-4-22-14(19)11-8(2)16-15(20)17-12(11)9-6-5-7-10(21-3)13(9)18/h5-7,12,18H,4H2,1-3H3,(H2,16,17,20)

InChIKey

KSUUYWXOWTWIFA-UHFFFAOYSA-N

Compound name

ethyl 4-(2-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 306.12158 Da
Monoisotopic Mass: 1.0
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]+	307.128856	170.5
[M+Na]+	329.110798	177.7
[M-H]-	305.114304	170.9
[M+NH4]+	324.155403	180.9
[M+K]+	345.084738	173.6
[M+H-H2O]+	289.118840	162.4
[M+HCOO]-	351.119781	184.8
[M+CH3COO]-	365.135431	199.3
[M+Na-2H]-	327.096246	170.2
[M]+	306.12103142	169.7
[M]-	306.12212858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.