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

337
Patents

138.01778 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.