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 153.6
[M+Na]+ 284.02779 160.4
[M-H]- 260.03129 155.3
[M+NH4]+ 279.07239 165.0
[M+K]+ 300.00173 151.3
[M+H-H2O]+ 244.03583 150.2
[M+HCOO]- 306.03677 171.4
[M+CH3COO]- 320.05242 182.4
[M+Na-2H]- 282.01324 158.7
[M]+ 261.03802 146.3
[M]- 261.03912 146.3
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.