CID 6480810

(5e)-5-(2-furylmethylene)-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]thiazolidine-2,4-dione

Structural Information

Molecular Formula
C14H12N4O5S
SMILES
CC1=NC=C(N1CCN2C(=O)/C(=C\C3=CC=CO3)/SC2=O)[N+](=O)[O-]
InChI
InChI=1S/C14H12N4O5S/c1-9-15-8-12(18(21)22)16(9)4-5-17-13(19)11(24-14(17)20)7-10-3-2-6-23-10/h2-3,6-8H,4-5H2,1H3/b11-7+
InChIKey
SLEKWTDNSOLUOK-YRNVUSSQSA-N
Compound name
(5E)-5-(furan-2-ylmethylidene)-3-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.05283 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06011 180.5
[M+Na]+ 371.04205 189.9
[M-H]- 347.04555 189.7
[M+NH4]+ 366.08665 193.5
[M+K]+ 387.01599 183.1
[M+H-H2O]+ 331.05009 178.2
[M+HCOO]- 393.05103 199.5
[M+CH3COO]- 407.06668 201.1
[M+Na-2H]- 369.02750 179.2
[M]+ 348.05228 184.1
[M]- 348.05338 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.