CID 2320102

23069-97-8

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃

SMILES

CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=CC=C2)O

InChI

InChI=1S/C13H13N3O3/c1-15-11(17)10(12(18)16(2)13(15)19)8-14-9-6-4-3-5-7-9/h3-8,17H,1-2H3

InChIKey

FEBQQBVJYYYHAP-UHFFFAOYSA-N

Compound name

6-hydroxy-1,3-dimethyl-5-(phenyliminomethyl)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 2
Patents: 259.0957 Da
Monoisotopic Mass: 0.8
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]+	260.10298	157.0
[M+Na]+	282.08492	172.0
[M+NH4]+	277.12952	163.0
[M+K]+	298.05886	165.6
[M-H]-	258.08842	159.7
[M+Na-2H]-	280.07037	164.8
[M]+	259.09515	159.8
[M]-	259.09625	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe