CID 9575081

2-[6-(4-bromophenyl)imidazo[2,1-b]thiazol-3-yl]-n-[(z)-[3-(4-nitrophenyl)-4-oxo-thiazolidin-2-ylidene]amino]acetamide

Structural Information

Molecular Formula
C22H15BrN6O4S2
SMILES
C1C(=O)N(/C(=N/NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br)/S1)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C22H15BrN6O4S2/c23-14-3-1-13(2-4-14)18-10-27-17(11-34-21(27)24-18)9-19(30)25-26-22-28(20(31)12-35-22)15-5-7-16(8-6-15)29(32)33/h1-8,10-11H,9,12H2,(H,25,30)/b26-22-
InChIKey
JYXWYLRJPCWUFK-ROMGYVFFSA-N
Compound name
2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(Z)-[3-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.97797 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.98525 206.1
[M+Na]+ 592.96719 216.1
[M-H]- 568.97069 221.3
[M+NH4]+ 588.01179 216.8
[M+K]+ 608.94113 200.5
[M+H-H2O]+ 552.97523 209.6
[M+HCOO]- 614.97617 220.2
[M+CH3COO]- 628.99182 238.7
[M+Na-2H]- 590.95264 209.3
[M]+ 569.97742 226.9
[M]- 569.97852 226.9
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.