CID 6480811

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

Structural Information

Molecular Formula
C14H12N4O4S2
SMILES
CC1=NC=C(N1CCN2C(=O)/C(=C\C3=CC=CS3)/SC2=O)[N+](=O)[O-]
InChI
InChI=1S/C14H12N4O4S2/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
VSKUTWIPAAZEPX-YRNVUSSQSA-N
Compound name
(5E)-3-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.03 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03728 185.3
[M+Na]+ 387.01922 195.3
[M-H]- 363.02272 193.8
[M+NH4]+ 382.06382 199.6
[M+K]+ 402.99316 186.3
[M+H-H2O]+ 347.02726 183.5
[M+HCOO]- 409.02820 199.8
[M+CH3COO]- 423.04385 203.0
[M+Na-2H]- 385.00467 181.8
[M]+ 364.02945 188.0
[M]- 364.03055 188.0
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.