CID 91666063

899822-41-4

Structural Information

Molecular Formula

C₆H₆N₄O₂

SMILES

CC1=CN=C2N1C(=O)NC(=O)N2

InChI

InChI=1S/C6H6N4O2/c1-3-2-7-4-8-5(11)9-6(12)10(3)4/h2H,1H3,(H2,7,8,9,11,12)

InChIKey

HTNSGUAKEYEURZ-UHFFFAOYSA-N

Compound name

6-methyl-1H-imidazo[1,2-a][1,3,5]triazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.04907 Da
Monoisotopic Mass: -0.3
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]+	167.056346	130.8
[M+Na]+	189.038288	144.5
[M-H]-	165.041794	129.1
[M+NH4]+	184.082893	148.2
[M+K]+	205.012228	139.7
[M+H-H2O]+	149.046330	123.8
[M+HCOO]-	211.047271	150.9
[M+CH3COO]-	225.062921	144.4
[M+Na-2H]-	187.023736	138.6
[M]+	166.04852142	131.7
[M]-	166.04961858	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.