CID 24328

2,4-dioxo-1h-pyrimidine-5-diazonium

Structural Information

Molecular Formula
C4H3N4O2
SMILES
C1=C(C(=O)NC(=O)N1)[N+]#N
InChI
InChI=1S/C4H2N4O2/c5-8-2-1-6-4(10)7-3(2)9/h1H,(H-,6,7,9,10)/p+1
InChIKey
XFLJNCDBYCPPTE-UHFFFAOYSA-O
Compound name
2,4-dioxo-1H-pyrimidine-5-diazonium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

337
Patents

139.0256 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03288 124.6
[M+Na]+ 162.01482 135.8
[M-H]- 138.01832 124.7
[M+NH4]+ 157.05942 140.3
[M+K]+ 177.98876 128.8
[M+H-H2O]+ 122.02286 113.6
[M+HCOO]- 184.02380 144.1
[M+CH3COO]- 198.03945 176.9
[M+Na-2H]- 160.00027 134.9
[M]+ 139.02505 116.7
[M]- 139.02615 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

literature stripe

Patent stripe

patents stripe