CID 78566

Ns00044407

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

C=CCN1C(=CC(=O)N(C1=O)CC=C)N

InChI

InChI=1S/C10H13N3O2/c1-3-5-12-8(11)7-9(14)13(6-4-2)10(12)15/h3-4,7H,1-2,5-6,11H2

InChIKey

FWOKREPUUOLKNQ-UHFFFAOYSA-N

Compound name

6-amino-1,3-bis(prop-2-enyl)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 207.10077 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]+	208.108046	143.4
[M+Na]+	230.089988	154.4
[M-H]-	206.093494	144.9
[M+NH4]+	225.134593	160.0
[M+K]+	246.063928	150.1
[M+H-H2O]+	190.098030	136.3
[M+HCOO]-	252.098971	166.6
[M+CH3COO]-	266.114621	189.5
[M+Na-2H]-	228.075436	147.5
[M]+	207.10022142	144.6
[M]-	207.10131858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.