CID 3043223

Brn 0653695

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

CCCCN1C(=O)C2=C(C=CN2)NC1=O

InChI

InChI=1S/C10H13N3O2/c1-2-3-6-13-9(14)8-7(4-5-11-8)12-10(13)15/h4-5,11H,2-3,6H2,1H3,(H,12,15)

InChIKey

OWJRKRZXCAMPBO-UHFFFAOYSA-N

Compound name

3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.10077 Da
Monoisotopic Mass: 1.0
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	143.6
[M+Na]+	230.089988	155.4
[M-H]-	206.093494	142.6
[M+NH4]+	225.134593	160.7
[M+K]+	246.063928	150.0
[M+H-H2O]+	190.098030	136.5
[M+HCOO]-	252.098971	163.7
[M+CH3COO]-	266.114621	180.7
[M+Na-2H]-	228.075436	149.5
[M]+	207.10022142	145.3
[M]-	207.10131858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.