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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 150.4
[M+Na]+ 259.06893 160.1
[M-H]- 235.07243 154.6
[M+NH4]+ 254.11353 165.8
[M+K]+ 275.04287 157.8
[M+H-H2O]+ 219.07697 143.6
[M+HCOO]- 281.07791 168.6
[M+CH3COO]- 295.09356 188.2
[M+Na-2H]- 257.05438 151.4
[M]+ 236.07916 150.3
[M]- 236.08026 150.3
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.