CID 73266

5-diazouracil

Structural Information

Molecular Formula

C₄H₂N₄O₂

SMILES

C1=C(C(=O)NC(=N1)[O-])[N+]#N

InChI

InChI=1S/C4H2N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H,(H-,6,7,9,10)

InChIKey

XFLJNCDBYCPPTE-UHFFFAOYSA-N

Compound name

5-diazonio-6-oxo-1H-pyrimidin-2-olate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 15
References: 336
Patents: 138.01778 Da
Monoisotopic Mass: 0.9
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]+	139.02506	124.5
[M+Na]+	161.00700	135.3
[M-H]-	137.01050	124.3
[M+NH4]+	156.05160	140.1
[M+K]+	176.98094	129.6
[M+H-H2O]+	121.01504	115.3
[M+HCOO]-	183.01598	144.6
[M+CH3COO]-	197.03163	177.1
[M+Na-2H]-	158.99245	134.5
[M]+	138.01723	116.7
[M]-	138.01833	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe