CID 208117

31652-49-0

Structural Information

Molecular Formula

C₉H₁₄N₄O₃

SMILES

CCNC(=O)NC1=CC(=O)N(C(=O)N1C)C

InChI

InChI=1S/C9H14N4O3/c1-4-10-8(15)11-6-5-7(14)13(3)9(16)12(6)2/h5H,4H2,1-3H3,(H2,10,11,15)

InChIKey

FYLHKMGQCHPNSA-UHFFFAOYSA-N

Compound name

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-ethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.1066 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]+	227.11388	147.9
[M+Na]+	249.09582	157.9
[M-H]-	225.09932	150.2
[M+NH4]+	244.14042	163.7
[M+K]+	265.06976	155.8
[M+H-H2O]+	209.10386	140.3
[M+HCOO]-	271.10480	172.1
[M+CH3COO]-	285.12045	194.9
[M+Na-2H]-	247.08127	152.7
[M]+	226.10605	150.3
[M]-	226.10715	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe