CID 6450982

134924-75-7

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₄

SMILES

CN1C(/C(=C\C2=CC=CO2)/C(=O)N(C1=O)C)O

InChI

InChI=1S/C11H12N2O4/c1-12-9(14)8(6-7-4-3-5-17-7)10(15)13(2)11(12)16/h3-6,9,14H,1-2H3/b8-6+

InChIKey

MDYAMFZTJXNFKN-SOFGYWHQSA-N

Compound name

(5E)-5-(furan-2-ylmethylidene)-6-hydroxy-1,3-dimethyl-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 236.07971 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.086986	150.4
[M+Na]+	259.068928	160.1
[M-H]-	235.072434	154.6
[M+NH4]+	254.113533	165.8
[M+K]+	275.042868	157.8
[M+H-H2O]+	219.076970	143.6
[M+HCOO]-	281.077911	168.6
[M+CH3COO]-	295.093561	188.2
[M+Na-2H]-	257.054376	151.4
[M]+	236.07916142	150.3
[M]-	236.08025858	150.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.