CID 6532400

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

Structural Information

Molecular Formula
C19H18BrN5O2S2
SMILES
CCCN\1C(=O)CS/C1=N\NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H18BrN5O2S2/c1-2-7-24-17(27)11-29-19(24)23-22-16(26)8-14-10-28-18-21-15(9-25(14)18)12-3-5-13(20)6-4-12/h3-6,9-10H,2,7-8,11H2,1H3,(H,22,26)/b23-19-
InChIKey
XCBZUWJDRWHQNF-NMWGTECJSA-N
Compound name
2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(Z)-(4-oxo-3-propyl-1,3-thiazolidin-2-ylidene)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.00854 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.01582 190.8
[M+Na]+ 513.99776 204.8
[M-H]- 490.00126 203.4
[M+NH4]+ 509.04236 206.9
[M+K]+ 529.97170 192.3
[M+H-H2O]+ 474.00580 191.4
[M+HCOO]- 536.00674 204.5
[M+CH3COO]- 550.02239 203.6
[M+Na-2H]- 511.98321 189.8
[M]+ 491.00799 215.4
[M]- 491.00909 215.4
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.