CID 9575080

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

Structural Information

Molecular Formula
C22H15Br2N5O2S2
SMILES
C1C(=O)N(/C(=N/NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br)/S1)C5=CC=C(C=C5)Br
InChI
InChI=1S/C22H15Br2N5O2S2/c23-14-3-1-13(2-4-14)18-10-28-17(11-32-21(28)25-18)9-19(30)26-27-22-29(20(31)12-33-22)16-7-5-15(24)6-8-16/h1-8,10-11H,9,12H2,(H,26,30)/b27-22-
InChIKey
UQRJDYZGRWIYEK-QYQHSDTDSA-N
Compound name
2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(Z)-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

602.9034 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.91068 182.2
[M+Na]+ 625.89262 195.1
[M-H]- 601.89612 196.8
[M+NH4]+ 620.93722 195.5
[M+K]+ 641.86656 180.6
[M+H-H2O]+ 585.90066 191.7
[M+HCOO]- 647.90160 193.0
[M+CH3COO]- 661.91725 194.6
[M+Na-2H]- 623.87807 183.6
[M]+ 602.90285 219.7
[M]- 602.90395 219.7
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.