CID 2386139

568544-08-1

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₃

SMILES

C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)NCCCO)N

InChI

InChI=1S/C14H18N4O3/c15-12-11(16-7-4-8-19)13(20)17-14(21)18(12)9-10-5-2-1-3-6-10/h1-3,5-6,16,19H,4,7-9,15H2,(H,17,20,21)

InChIKey

LVWWXUCAQXTOPV-UHFFFAOYSA-N

Compound name

6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.13788 Da
Monoisotopic Mass: 0.6
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	166.1
[M+Na]+	313.127098	174.0
[M-H]-	289.130604	167.7
[M+NH4]+	308.171703	177.0
[M+K]+	329.101038	168.2
[M+H-H2O]+	273.135140	157.0
[M+HCOO]-	335.136081	187.1
[M+CH3COO]-	349.151731	202.0
[M+Na-2H]-	311.112546	170.3
[M]+	290.13733142	164.5
[M]-	290.13842858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.