CID 234955

49810-21-1

Structural Information

Molecular Formula

C₉H₁₄N₄O₄

SMILES

CCOC(=O)NC1=C(N(C(=O)N(C1=O)C)C)N

InChI

InChI=1S/C9H14N4O4/c1-4-17-8(15)11-5-6(10)12(2)9(16)13(3)7(5)14/h4,10H2,1-3H3,(H,11,15)

InChIKey

HGUYJIVJBOSARA-UHFFFAOYSA-N

Compound name

ethyl N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 242.1015 Da
Monoisotopic Mass: 0.1
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]+	243.10878	152.1
[M+Na]+	265.09072	162.4
[M+NH4]+	260.13532	156.1
[M+K]+	281.06466	159.6
[M-H]-	241.09422	151.3
[M+Na-2H]-	263.07617	154.9
[M]+	242.10095	152.8
[M]-	242.10205	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe