CID 477938

2-[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl]-n-(2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)acetamide

Structural Information

Molecular Formula
C21H21ClN4O2S2
SMILES
C1CCC2(CC1)N(C(=O)CS2)NC(=O)CC3=CSC4=NC(=CN34)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C21H21ClN4O2S2/c22-15-6-4-14(5-7-15)17-11-25-16(12-29-20(25)23-17)10-18(27)24-26-19(28)13-30-21(26)8-2-1-3-9-21/h4-7,11-12H,1-3,8-10,13H2,(H,24,27)
InChIKey
SXSDGKCHCJMJAQ-UHFFFAOYSA-N
Compound name
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.07944 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.08672 204.7
[M+Na]+ 483.06866 214.6
[M-H]- 459.07216 214.6
[M+NH4]+ 478.11326 219.9
[M+K]+ 499.04260 208.4
[M+H-H2O]+ 443.07670 199.4
[M+HCOO]- 505.07764 209.6
[M+CH3COO]- 519.09329 213.7
[M+Na-2H]- 481.05411 200.0
[M]+ 460.07889 208.5
[M]- 460.07999 208.5
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.