CID 427644

2,4,6(1h,3h,5h)-pyrimidinetrione, 5-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino]-, ammonium salt (1:1)

Structural Information

Molecular Formula
C8H5N5O6
SMILES
C1(C(=O)NC(=O)NC1=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/h1H,(H2,10,11,14,15,18)(H2,12,13,16,17,19)
InChIKey
VQTZGUYEOZNKQH-UHFFFAOYSA-N
Compound name
5-[(2,4,6-trioxo-1,3-diazinan-5-yl)imino]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

115
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 157.5
[M+Na]+ 290.01322 164.6
[M+NH4]+ 285.05782 158.2
[M+K]+ 305.98716 163.9
[M-H]- 266.01672 153.4
[M+Na-2H]- 287.99867 156.3
[M]+ 267.02345 156.1
[M]- 267.02455 156.1
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

patents stripe