CID 264818

25507-29-3

Structural Information

Molecular Formula

C₁₁H₁₂N₄O₂

SMILES

C1=CC=C(C=C1)CNC2=C(NC(=O)NC2=O)N

InChI

InChI=1S/C11H12N4O2/c12-9-8(10(16)15-11(17)14-9)13-6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H4,12,14,15,16,17)

InChIKey

BPKMXXXUDCOYFU-UHFFFAOYSA-N

Compound name

6-amino-5-(benzylamino)-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 232.09602 Da
Monoisotopic Mass: 0.2
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]+	233.10330	149.8
[M+Na]+	255.08524	162.1
[M+NH4]+	250.12984	155.6
[M+K]+	271.05918	156.8
[M-H]-	231.08874	152.2
[M+Na-2H]-	253.07069	157.1
[M]+	232.09547	151.8
[M]-	232.09657	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe