CID 15451086

25157-64-6

Structural Information

Molecular Formula
C8H6N6O6
SMILES
C1(C(=O)NC(=O)NC1=O)N=NC2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C8H6N6O6/c15-3-1(4(16)10-7(19)9-3)13-14-2-5(17)11-8(20)12-6(2)18/h1-2H,(H2,9,10,15,16,19)(H2,11,12,17,18,20)
InChIKey
LCGWXMONLSJYQR-UHFFFAOYSA-N
Compound name
5-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

523
Patents

282.03488 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04216 160.9
[M+Na]+ 305.02410 168.2
[M-H]- 281.02760 159.9
[M+NH4]+ 300.06870 168.8
[M+K]+ 320.99804 163.7
[M+H-H2O]+ 265.03214 152.0
[M+HCOO]- 327.03308 174.5
[M+CH3COO]- 341.04873 199.0
[M+Na-2H]- 303.00955 162.3
[M]+ 282.03433 152.5
[M]- 282.03543 152.5
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