CID 6447204

Oxazole, 4,5-dimethyl-2-(2-(5-nitrofuryl)vinyl)-

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CC1=C(OC(=N1)/C=C/C2=CC=C(O2)[N+](=O)[O-])C
InChI
InChI=1S/C11H10N2O4/c1-7-8(2)16-10(12-7)5-3-9-4-6-11(17-9)13(14)15/h3-6H,1-2H3/b5-3+
InChIKey
LIUSVLSPMYRHOA-HWKANZROSA-N
Compound name
4,5-dimethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06406 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.071336 150.1
[M+Na]+ 257.053278 160.1
[M-H]- 233.056784 158.4
[M+NH4]+ 252.097883 167.1
[M+K]+ 273.027218 155.6
[M+H-H2O]+ 217.061320 148.7
[M+HCOO]- 279.062261 176.7
[M+CH3COO]- 293.077911 183.4
[M+Na-2H]- 255.038726 156.9
[M]+ 234.06351142 154.5
[M]- 234.06460858 154.5
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.