CID 11543404

Methyl 3-ethoxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)propanoate

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₅

SMILES

CCOC(CC(=O)OC)N1C=C(C(=O)NC1=O)C

InChI

InChI=1S/C11H16N2O5/c1-4-18-8(5-9(14)17-3)13-6-7(2)10(15)12-11(13)16/h6,8H,4-5H2,1-3H3,(H,12,15,16)

InChIKey

NMKHHRHMMCQBJZ-UHFFFAOYSA-N

Compound name

methyl 3-ethoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 256.10593 Da
Monoisotopic Mass: -0.2
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]+	257.113206	152.9
[M+Na]+	279.095148	161.8
[M-H]-	255.098654	153.1
[M+NH4]+	274.139753	166.9
[M+K]+	295.069088	160.2
[M+H-H2O]+	239.103190	145.6
[M+HCOO]-	301.104131	172.4
[M+CH3COO]-	315.119781	192.9
[M+Na-2H]-	277.080596	155.3
[M]+	256.10538142	157.7
[M]-	256.10647858	157.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.