CID 6532411

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

Structural Information

Molecular Formula
C22H16BrN5O2S2
SMILES
C1C(=O)N(/C(=N/NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br)/S1)C5=CC=CC=C5
InChI
InChI=1S/C22H16BrN5O2S2/c23-15-8-6-14(7-9-15)18-11-27-17(12-31-21(27)24-18)10-19(29)25-26-22-28(20(30)13-32-22)16-4-2-1-3-5-16/h1-9,11-12H,10,13H2,(H,25,29)/b26-22-
InChIKey
SQWBNQONFHSEKI-ROMGYVFFSA-N
Compound name
2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(Z)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.99286 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.00014 197.8
[M+Na]+ 547.98208 211.8
[M-H]- 523.98558 213.4
[M+NH4]+ 543.02668 212.2
[M+K]+ 563.95602 199.3
[M+H-H2O]+ 507.99012 198.7
[M+HCOO]- 569.99106 212.2
[M+CH3COO]- 584.00671 210.4
[M+Na-2H]- 545.96753 197.5
[M]+ 524.99231 221.2
[M]- 524.99341 221.2
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.