CID 2730180

Maybridge4_003380

Structural Information

Molecular Formula

C₁₄H₁₆N₄O₃

SMILES

CN(C)C(=O)OC1=NC(=NC(=C1)COC)C2=CC=NC=C2

InChI

InChI=1S/C14H16N4O3/c1-18(2)14(19)21-12-8-11(9-20-3)16-13(17-12)10-4-6-15-7-5-10/h4-8H,9H2,1-3H3

InChIKey

CXDLLEFUMOWEFD-UHFFFAOYSA-N

Compound name

[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 288.12225 Da
Monoisotopic Mass: 0.6
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]+	289.129526	165.9
[M+Na]+	311.111468	173.5
[M-H]-	287.114974	170.2
[M+NH4]+	306.156073	177.6
[M+K]+	327.085408	171.8
[M+H-H2O]+	271.119510	155.3
[M+HCOO]-	333.120451	187.6
[M+CH3COO]-	347.136101	205.7
[M+Na-2H]-	309.096916	171.4
[M]+	288.12170142	170.5
[M]-	288.12279858	170.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.