CID 3069613

84950-80-1

Structural Information

Molecular Formula
C13H11Cl2N3OS
SMILES
CC1=C(SC2=NCCN12)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C13H11Cl2N3OS/c1-7-11(20-13-16-4-5-18(7)13)12(19)17-8-2-3-9(14)10(15)6-8/h2-3,6H,4-5H2,1H3,(H,17,19)
InChIKey
BCKCHZCSPMOHMR-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

327.0 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.007276 173.6
[M+Na]+ 349.989218 185.1
[M-H]- 325.992724 179.4
[M+NH4]+ 345.033823 191.9
[M+K]+ 365.963158 178.8
[M+H-H2O]+ 309.997260 168.0
[M+HCOO]- 371.998201 181.4
[M+CH3COO]- 386.013851 185.1
[M+Na-2H]- 347.974666 171.3
[M]+ 326.99945142 178.9
[M]- 327.00054858 178.9
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

patents stripe