CID 6445583

Thiazole, 5-acetyl-4-methyl-2-(2-(5-nitrofuryl)vinyl)-

Structural Information

Molecular Formula
C12H10N2O4S
SMILES
CC1=C(SC(=N1)/C=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)C
InChI
InChI=1S/C12H10N2O4S/c1-7-12(8(2)15)19-10(13-7)5-3-9-4-6-11(18-9)14(16)17/h3-6H,1-2H3/b5-3+
InChIKey
JLMDCRSVWZKFHH-HWKANZROSA-N
Compound name
1-[4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03613 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.043406 162.8
[M+Na]+ 301.025348 172.4
[M-H]- 277.028854 170.8
[M+NH4]+ 296.069953 179.8
[M+K]+ 316.999288 166.0
[M+H-H2O]+ 261.033390 161.3
[M+HCOO]- 323.034331 184.3
[M+CH3COO]- 337.049981 189.5
[M+Na-2H]- 299.010796 164.4
[M]+ 278.03558142 167.4
[M]- 278.03667858 167.4
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.