CID 262410

27402-32-0

Structural Information

Molecular Formula
C11H7N3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C11H7N3O5/c15-9-8(10(16)13-11(17)12-9)5-6-2-1-3-7(4-6)14(18)19/h1-5H,(H2,12,13,15,16,17)
InChIKey
BRGHLSCNAIQJPE-UHFFFAOYSA-N
Compound name
5-[(3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.03857 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04585 153.7
[M+Na]+ 284.02779 165.5
[M+NH4]+ 279.07239 158.1
[M+K]+ 300.00173 163.9
[M-H]- 260.03129 154.7
[M+Na-2H]- 282.01324 157.4
[M]+ 261.03802 154.9
[M]- 261.03912 154.9
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

No patent data available for this compound.