CID 206375

49786-46-1

Structural Information

Molecular Formula

C₁₂H₁₇N₃O₃

SMILES

CN1C(=O)C2=C(CCC2)N(C1=O)CC(=O)N(C)C

InChI

InChI=1S/C12H17N3O3/c1-13(2)10(16)7-15-9-6-4-5-8(9)11(17)14(3)12(15)18/h4-7H2,1-3H3

InChIKey

WDFJBTXRDRIIGW-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(3-methyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.127 Da
Monoisotopic Mass: -0.4
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]+	252.134276	153.9
[M+Na]+	274.116218	163.6
[M-H]-	250.119724	158.0
[M+NH4]+	269.160823	172.2
[M+K]+	290.090158	162.0
[M+H-H2O]+	234.124260	146.8
[M+HCOO]-	296.125201	175.7
[M+CH3COO]-	310.140851	200.6
[M+Na-2H]-	272.101666	156.1
[M]+	251.12645142	157.6
[M]-	251.12754858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.