CID 1556539

N-(5-(2,3-dichlorobenzyl)-1,3-thiazol-2-yl)-3-phenylacrylamide

Structural Information

Molecular Formula
C19H14Cl2N2OS
SMILES
C1=CC=C(C=C1)/C=C/C(=O)NC2=NC=C(S2)CC3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C19H14Cl2N2OS/c20-16-8-4-7-14(18(16)21)11-15-12-22-19(25-15)23-17(24)10-9-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,22,23,24)/b10-9+
InChIKey
HOSQUYRYXSQLKW-MDZDMXLPSA-N
Compound name
(E)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.0204 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.02768 189.5
[M+Na]+ 411.00962 199.0
[M-H]- 387.01312 197.8
[M+NH4]+ 406.05422 203.2
[M+K]+ 426.98356 189.9
[M+H-H2O]+ 371.01766 182.0
[M+HCOO]- 433.01860 199.0
[M+CH3COO]- 447.03425 199.6
[M+Na-2H]- 408.99507 187.9
[M]+ 388.01985 194.6
[M]- 388.02095 194.6
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.