CID 239349

5-diazo-2,4,6(1h, 3h, 5h)-pyrimidinetrione

Structural Information

Molecular Formula

C₄H₂N₄O₃

SMILES

C1(=C(NC(=O)NC1=O)[O-])[N+]#N

InChI

InChI=1S/C4H2N4O3/c5-8-1-2(9)6-4(11)7-3(1)10/h(H2-,6,7,9,10,11)

InChIKey

OAZDCJVJMWHYPJ-UHFFFAOYSA-N

Compound name

5-diazonio-2,4-dioxo-1H-pyrimidin-6-olate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 240
Patents: 154.0127 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]+	155.01998	128.5
[M+Na]+	177.00192	139.7
[M-H]-	153.00542	127.4
[M+NH4]+	172.04652	143.0
[M+K]+	192.97586	133.2
[M+H-H2O]+	137.00996	119.6
[M+HCOO]-	199.01090	147.5
[M+CH3COO]-	213.02655	176.7
[M+Na-2H]-	174.98737	137.3
[M]+	154.01215	119.9
[M]-	154.01325	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe