CID 9291140

2-chloro-n-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-n-(prop-2-en-1-yl)acetamide

Structural Information

Molecular Formula
C14H11Cl3N2OS
SMILES
C=CCN(C1=NC(=CS1)C2=CC(=C(C=C2)Cl)Cl)C(=O)CCl
InChI
InChI=1S/C14H11Cl3N2OS/c1-2-5-19(13(20)7-15)14-18-12(8-21-14)9-3-4-10(16)11(17)6-9/h2-4,6,8H,1,5,7H2
InChIKey
PZZKSRGAHWRMKA-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-prop-2-enylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.96576 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.97304 178.5
[M+Na]+ 382.95498 188.2
[M-H]- 358.95848 184.2
[M+NH4]+ 377.99958 194.2
[M+K]+ 398.92892 181.3
[M+H-H2O]+ 342.96302 172.8
[M+HCOO]- 404.96396 183.0
[M+CH3COO]- 418.97961 212.9
[M+Na-2H]- 380.94043 175.3
[M]+ 359.96521 185.1
[M]- 359.96631 185.1
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.