CID 13114197

61686-79-1

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

CN1C(=O)C=CN(C1=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2/c1-13-11(15)7-8-14(12(13)16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3

InChIKey

OSKCTFCFDFVEQE-UHFFFAOYSA-N

Compound name

1-benzyl-3-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 216.08987 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]+	217.09715	145.7
[M+Na]+	239.07909	161.9
[M+NH4]+	234.12369	153.3
[M+K]+	255.05303	154.5
[M-H]-	215.08259	148.8
[M+Na-2H]-	237.06454	155.2
[M]+	216.08932	148.9
[M]-	216.09042	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe