CID 250866

6952-82-5

Structural Information

Molecular Formula
C10H7N3O3
SMILES
C1=CC(=CN=C1)C=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C10H7N3O3/c14-8-7(9(15)13-10(16)12-8)4-6-2-1-3-11-5-6/h1-5H,(H2,12,13,14,15,16)
InChIKey
SQEAVQAOXZQSMM-UHFFFAOYSA-N
Compound name
5-(pyridin-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

217.04874 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.05602 147.5
[M+Na]+ 240.03796 155.8
[M-H]- 216.04146 147.5
[M+NH4]+ 235.08256 160.2
[M+K]+ 256.01190 150.3
[M+H-H2O]+ 200.04600 139.0
[M+HCOO]- 262.04694 163.2
[M+CH3COO]- 276.06259 180.3
[M+Na-2H]- 238.02341 151.5
[M]+ 217.04819 141.3
[M]- 217.04929 141.3
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.