CID 702878

15837-45-3

Structural Information

Molecular Formula

C₁₀H₉N₃O₂

SMILES

C1=CC=C(C=C1)N2C(=CC(=O)NC2=O)N

InChI

InChI=1S/C10H9N3O2/c11-8-6-9(14)12-10(15)13(8)7-4-2-1-3-5-7/h1-6H,11H2,(H,12,14,15)

InChIKey

OSEUDSKXNZLSRV-UHFFFAOYSA-N

Compound name

6-amino-1-phenylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 203.06947 Da
Monoisotopic Mass: 0.3
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]+	204.07675	141.3
[M+Na]+	226.05869	151.8
[M-H]-	202.06219	144.7
[M+NH4]+	221.10329	156.7
[M+K]+	242.03263	146.8
[M+H-H2O]+	186.06673	133.3
[M+HCOO]-	248.06767	164.1
[M+CH3COO]-	262.08332	183.3
[M+Na-2H]-	224.04414	148.3
[M]+	203.06892	139.1
[M]-	203.07002	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe