CID 18276

Unii-4w6l62s876

Structural Information

Molecular Formula
C8H5N5O6
SMILES
C1(=C(NC(=O)NC1=O)O)N=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C8H5N5O6/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17/h(H2,10,11,14,15,18)(H3,12,13,16,17,19)
InChIKey
MUMMBXDKKJEASE-UHFFFAOYSA-N
Compound name
5-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

75
References

1350
Patents

267.024 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03128 155.9
[M+Na]+ 290.01322 165.2
[M+NH4]+ 285.05782 156.7
[M+K]+ 305.98716 164.2
[M-H]- 266.01672 152.2
[M+Na-2H]- 287.99867 156.7
[M]+ 267.02345 155.1
[M]- 267.02455 155.1
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