CID 365521

Nsc633209

Structural Information

Molecular Formula
C13H8Cl2N4O2S
SMILES
C1=CC(=CC=C1NC(=O)NC(=O)C2=C(N=C3N2C=CS3)Cl)Cl
InChI
InChI=1S/C13H8Cl2N4O2S/c14-7-1-3-8(4-2-7)16-12(21)18-11(20)9-10(15)17-13-19(9)5-6-22-13/h1-6H,(H2,16,18,20,21)
InChIKey
CQGMCYMCGKVWNT-UHFFFAOYSA-N
Compound name
6-chloro-N-[(4-chlorophenyl)carbamoyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.9745 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.98178 177.1
[M+Na]+ 376.96372 188.5
[M-H]- 352.96722 183.6
[M+NH4]+ 372.00832 193.7
[M+K]+ 392.93766 182.5
[M+H-H2O]+ 336.97176 171.2
[M+HCOO]- 398.97270 188.1
[M+CH3COO]- 412.98835 188.6
[M+Na-2H]- 374.94917 177.5
[M]+ 353.97395 184.3
[M]- 353.97505 184.3
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.