CID 492049

Chembl344143

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₃

SMILES

CN1C(=O)C=C(N=C1OC)CC2(CO2)C3=CC=CC=C3

InChI

InChI=1S/C15H16N2O3/c1-17-13(18)8-12(16-14(17)19-2)9-15(10-20-15)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3

InChIKey

YLTYYRVQYFOZMI-UHFFFAOYSA-N

Compound name

2-methoxy-3-methyl-6-[(2-phenyloxiran-2-yl)methyl]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 272.1161 Da
Monoisotopic Mass: 1.1
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]+	273.123376	167.2
[M+Na]+	295.105318	178.9
[M-H]-	271.108824	176.2
[M+NH4]+	290.149923	176.9
[M+K]+	311.079258	176.5
[M+H-H2O]+	255.113360	158.1
[M+HCOO]-	317.114301	188.5
[M+CH3COO]-	331.129951	200.0
[M+Na-2H]-	293.090766	173.8
[M]+	272.11555142	174.1
[M]-	272.11664858	174.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.