CID 99311

6-methyl-5-phenylazouracil

Structural Information

Molecular Formula

C₁₁H₁₀N₄O₂

SMILES

CC1=C(C(=O)NC(=O)N1)N=NC2=CC=CC=C2

InChI

InChI=1S/C11H10N4O2/c1-7-9(10(16)13-11(17)12-7)15-14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,16,17)

InChIKey

URAVGOKYTHIVBV-UHFFFAOYSA-N

Compound name

6-methyl-5-phenyldiazenyl-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 230.08037 Da
Monoisotopic Mass: 1.4
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]+	231.087646	147.9
[M+Na]+	253.069588	157.7
[M-H]-	229.073094	153.0
[M+NH4]+	248.114193	162.7
[M+K]+	269.043528	153.2
[M+H-H2O]+	213.077630	138.9
[M+HCOO]-	275.078571	173.6
[M+CH3COO]-	289.094221	193.0
[M+Na-2H]-	251.055036	156.3
[M]+	230.07982142	147.3
[M]-	230.08091858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe