CID 2386092

6-amino-1-benzyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₂

SMILES

CCCNC1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C14H18N4O2/c1-2-8-16-11-12(15)18(14(20)17-13(11)19)9-10-6-4-3-5-7-10/h3-7,16H,2,8-9,15H2,1H3,(H,17,19,20)

InChIKey

GNRVAJOIWMSZEM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.14297 Da
Monoisotopic Mass: 1.3
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]+	275.150246	163.4
[M+Na]+	297.132188	172.0
[M-H]-	273.135694	166.4
[M+NH4]+	292.176793	175.7
[M+K]+	313.106128	166.2
[M+H-H2O]+	257.140230	154.3
[M+HCOO]-	319.141171	185.7
[M+CH3COO]-	333.156821	201.9
[M+Na-2H]-	295.117636	167.9
[M]+	274.14242142	162.2
[M]-	274.14351858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.