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]+ 294.083296 161.0
[M+Na]+ 316.065238 170.4
[M-H]- 292.068744 168.9
[M+NH4]+ 311.109843 173.7
[M+K]+ 332.039178 164.7
[M+H-H2O]+ 276.073280 156.5
[M+HCOO]- 338.074221 188.9
[M+CH3COO]- 352.089871 201.3
[M+Na-2H]- 314.050686 169.0
[M]+ 293.07547142 163.9
[M]- 293.07656858 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.