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 201.1
[M+Na]+ 478.93166 210.9
[M-H]- 454.93516 206.7
[M+NH4]+ 473.97626 212.2
[M+K]+ 494.90560 202.2
[M+H-H2O]+ 438.93970 194.8
[M+HCOO]- 500.94064 199.4
[M+CH3COO]- 514.95629 208.8
[M+Na-2H]- 476.91711 195.9
[M]+ 455.94189 206.1
[M]- 455.94299 206.2
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.