CID 3041224

53680-92-5

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

CCN1C2=C(C=CN2)C(=O)N(C1=O)CC

InChI

InChI=1S/C10H13N3O2/c1-3-12-8-7(5-6-11-8)9(14)13(4-2)10(12)15/h5-6,11H,3-4H2,1-2H3

InChIKey

UWZMYTIVXOEQDV-UHFFFAOYSA-N

Compound name

1,3-diethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.10077 Da
Monoisotopic Mass: 0.7
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]+	208.108046	142.9
[M+Na]+	230.089988	156.1
[M-H]-	206.093494	143.6
[M+NH4]+	225.134593	161.0
[M+K]+	246.063928	151.5
[M+H-H2O]+	190.098030	135.9
[M+HCOO]-	252.098971	164.5
[M+CH3COO]-	266.114621	184.4
[M+Na-2H]-	228.075436	148.5
[M]+	207.10022142	146.9
[M]-	207.10131858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.