CID 6480809

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

Structural Information

Molecular Formula
C16H13ClN4O4S
SMILES
CC1=NC=C(N1CCN2C(=O)/C(=C\C3=CC=C(C=C3)Cl)/SC2=O)[N+](=O)[O-]
InChI
InChI=1S/C16H13ClN4O4S/c1-10-18-9-14(21(24)25)19(10)6-7-20-15(22)13(26-16(20)23)8-11-2-4-12(17)5-3-11/h2-5,8-9H,6-7H2,1H3/b13-8+
InChIKey
JWLWVGSCGSONAT-MDWZMJQESA-N
Compound name
(5E)-5-[(4-chlorophenyl)methylidene]-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

392.0346 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04188 192.9
[M+Na]+ 415.02382 201.7
[M-H]- 391.02732 200.2
[M+NH4]+ 410.06842 204.4
[M+K]+ 430.99776 191.3
[M+H-H2O]+ 375.03186 189.5
[M+HCOO]- 437.03280 204.8
[M+CH3COO]- 451.04845 209.2
[M+Na-2H]- 413.00927 190.1
[M]+ 392.03405 195.3
[M]- 392.03515 195.3
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.