CID 9554196

2-furancarboxaldehyde, 5-nitro-, (1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)hydrazone

Structural Information

Molecular Formula
C11H11N5O5
SMILES
CN1C(=CC(=O)N(C1=O)C)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H11N5O5/c1-14-8(5-9(17)15(2)11(14)18)13-12-6-7-3-4-10(21-7)16(19)20/h3-6,13H,1-2H3/b12-6+
InChIKey
XQQXZBFFXSIVDC-WUXMJOGZSA-N
Compound name
1,3-dimethyl-6-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.07602 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08330 161.0
[M+Na]+ 316.06524 170.4
[M-H]- 292.06874 168.9
[M+NH4]+ 311.10984 173.7
[M+K]+ 332.03918 164.7
[M+H-H2O]+ 276.07328 156.5
[M+HCOO]- 338.07422 188.9
[M+CH3COO]- 352.08987 201.3
[M+Na-2H]- 314.05069 169.0
[M]+ 293.07547 163.9
[M]- 293.07657 163.9
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.