CID 84506

14532-33-3

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CC1=C(C(=O)ON1)C=CC=C2C(=NOC2=O)C
InChI
InChI=1S/C11H10N2O4/c1-6-8(10(14)16-12-6)4-3-5-9-7(2)13-17-11(9)15/h3-5,12H,1-2H3
InChIKey
VZFSNNVUKMJFNK-UHFFFAOYSA-N
Compound name
3-methyl-4-[3-(3-methyl-5-oxo-2H-1,2-oxazol-4-yl)prop-2-enylidene]-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.06406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.071336 149.1
[M+Na]+ 257.053278 160.0
[M-H]- 233.056784 154.3
[M+NH4]+ 252.097883 164.9
[M+K]+ 273.027218 157.9
[M+H-H2O]+ 217.061320 143.2
[M+HCOO]- 279.062261 170.0
[M+CH3COO]- 293.077911 185.4
[M+Na-2H]- 255.038726 150.7
[M]+ 234.06351142 151.9
[M]- 234.06460858 151.9
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.