CID 6507933

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

Structural Information

Molecular Formula
C14H13N3O5S
SMILES
CC1=C(SC(=N1)/C=C/C2=CC=C(O2)[N+](=O)[O-])/C(=N\OC(=O)C)/C
InChI
InChI=1S/C14H13N3O5S/c1-8-14(9(2)16-22-10(3)18)23-12(15-8)6-4-11-5-7-13(21-11)17(19)20/h4-7H,1-3H3/b6-4+,16-9-
InChIKey
BTSCLWGSJKEMPB-IXGNKIAJSA-N
Compound name
[(Z)-1-[4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-5-yl]ethylideneamino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0576 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.064876 179.0
[M+Na]+ 358.046818 186.7
[M-H]- 334.050324 188.0
[M+NH4]+ 353.091423 193.6
[M+K]+ 374.020758 181.0
[M+H-H2O]+ 318.054860 176.3
[M+HCOO]- 380.055801 201.4
[M+CH3COO]- 394.071451 203.5
[M+Na-2H]- 356.032266 180.0
[M]+ 335.05705142 184.9
[M]- 335.05814858 184.9
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.