CID 6532402

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

Structural Information

Molecular Formula
C20H20BrN5O2S2
SMILES
CCCCN\1C(=O)CS/C1=N\NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H20BrN5O2S2/c1-2-3-8-25-18(28)12-30-20(25)24-23-17(27)9-15-11-29-19-22-16(10-26(15)19)13-4-6-14(21)7-5-13/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,23,27)/b24-20-
InChIKey
KGNCXLBOZVVAIW-GFMRDNFCSA-N
Compound name
2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(Z)-(3-butyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.02417 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.03145 194.6
[M+Na]+ 528.01339 208.2
[M-H]- 504.01689 207.0
[M+NH4]+ 523.05799 210.1
[M+K]+ 543.98733 195.5
[M+H-H2O]+ 488.02143 195.1
[M+HCOO]- 550.02237 208.0
[M+CH3COO]- 564.03802 207.0
[M+Na-2H]- 525.99884 193.2
[M]+ 505.02362 219.5
[M]- 505.02472 219.5
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.