CID 477946

2-[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl]-n-[(4-ethylcyclohexylidene)amino]acetamide

Structural Information

Molecular Formula
C21H23ClN4OS
SMILES
CCC1CCC(=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Cl)CC1
InChI
InChI=1S/C21H23ClN4OS/c1-2-14-3-9-17(10-4-14)24-25-20(27)11-18-13-28-21-23-19(12-26(18)21)15-5-7-16(22)8-6-15/h5-8,12-14H,2-4,9-11H2,1H3,(H,25,27)
InChIKey
ZXZJBYGQZLLWLC-UHFFFAOYSA-N
Compound name
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-ethylcyclohexylidene)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.1281 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.13538 199.9
[M+Na]+ 437.11732 207.9
[M-H]- 413.12082 209.6
[M+NH4]+ 432.16192 214.0
[M+K]+ 453.09126 200.8
[M+H-H2O]+ 397.12536 191.3
[M+HCOO]- 459.12630 212.9
[M+CH3COO]- 473.14195 209.4
[M+Na-2H]- 435.10277 197.0
[M]+ 414.12755 203.8
[M]- 414.12865 203.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.