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]+ 235.07134 150.1
[M+Na]+ 257.05328 160.1
[M-H]- 233.05678 158.4
[M+NH4]+ 252.09788 167.1
[M+K]+ 273.02722 155.6
[M+H-H2O]+ 217.06132 148.7
[M+HCOO]- 279.06226 176.7
[M+CH3COO]- 293.07791 183.4
[M+Na-2H]- 255.03873 156.9
[M]+ 234.06351 154.5
[M]- 234.06461 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.