CID 2429003

722467-81-4

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₃

SMILES

COCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2)N

InChI

InChI=1S/C14H18N4O3/c1-21-8-7-18-12(15)11(13(19)17-14(18)20)16-9-10-5-3-2-4-6-10/h2-6,16H,7-9,15H2,1H3,(H,17,19,20)

InChIKey

FGUMUZKTCACZCX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 290.13788 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]+	291.145156	165.9
[M+Na]+	313.127098	174.3
[M-H]-	289.130604	168.9
[M+NH4]+	308.171703	177.5
[M+K]+	329.101038	169.2
[M+H-H2O]+	273.135140	156.5
[M+HCOO]-	335.136081	188.4
[M+CH3COO]-	349.151731	204.2
[M+Na-2H]-	311.112546	170.5
[M]+	290.13733142	166.1
[M]-	290.13842858	166.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.