CID 6532403

Imidazo[2,1-b]thiazole-3-acetic acid, 6-(4-bromophenyl)-, [(2z)-4-oxo-3-(2-propenyl)-2-thiazolidinylidene]hydrazide

Structural Information

Molecular Formula
C19H16BrN5O2S2
SMILES
C=CCN\1C(=O)CS/C1=N\NC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H16BrN5O2S2/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/h2-6,9-10H,1,7-8,11H2,(H,22,26)/b23-19-
InChIKey
QOCVZLGUWIWOIT-NMWGTECJSA-N
Compound name
2-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(Z)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.9929 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.00018 190.9
[M+Na]+ 511.98212 205.1
[M-H]- 487.98562 203.5
[M+NH4]+ 507.02672 206.9
[M+K]+ 527.95606 192.1
[M+H-H2O]+ 471.99016 191.6
[M+HCOO]- 533.99110 204.7
[M+CH3COO]- 548.00675 203.7
[M+Na-2H]- 509.96757 189.8
[M]+ 488.99235 214.8
[M]- 488.99345 214.8
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.