CID 2341173

721415-06-1

Structural Information

Molecular Formula

C₁₅H₂₀N₄O₂

SMILES

CCCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2)N

InChI

InChI=1S/C15H20N4O2/c1-2-3-9-19-13(16)12(14(20)18-15(19)21)17-10-11-7-5-4-6-8-11/h4-8,17H,2-3,9-10,16H2,1H3,(H,18,20,21)

InChIKey

BGAYUIQCNHNQSP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 288.15863 Da
Monoisotopic Mass: 1.7
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]+	289.165906	167.7
[M+Na]+	311.147848	175.9
[M-H]-	287.151354	170.5
[M+NH4]+	306.192453	179.5
[M+K]+	327.121788	169.9
[M+H-H2O]+	271.155890	158.4
[M+HCOO]-	333.156831	189.7
[M+CH3COO]-	347.172481	205.0
[M+Na-2H]-	309.133296	171.8
[M]+	288.15808142	166.9
[M]-	288.15917858	166.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.