CID 1556616

N-(5-(2,3-dichlorobenzyl)-1,3-thiazol-2-yl)-3-(3,4-dichlorophenyl)acrylamide

Structural Information

Molecular Formula
C19H12Cl4N2OS
SMILES
C1=CC(=C(C(=C1)Cl)Cl)CC2=CN=C(S2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H12Cl4N2OS/c20-14-6-4-11(8-16(14)22)5-7-17(26)25-19-24-10-13(27-19)9-12-2-1-3-15(21)18(12)23/h1-8,10H,9H2,(H,24,25,26)/b7-5+
InChIKey
KCKDPJUWRJWNFC-FNORWQNLSA-N
Compound name
(E)-3-(3,4-dichlorophenyl)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.94244 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.94972 207.6
[M+Na]+ 478.93166 223.1
[M+NH4]+ 473.97626 215.3
[M+K]+ 494.90560 211.8
[M-H]- 454.93516 212.3
[M+Na-2H]- 476.91711 214.4
[M]+ 455.94189 212.7
[M]- 455.94299 212.7
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.