CID 3002000

Chembl67604

Structural Information

Molecular Formula

C₂₀H₁₆ClN₃OS

SMILES

C1CS/C(=C(/C(=O)C2=CC=C(C=C2)Cl)\N3C=CN=C3)/N1C4=CC=CC=C4

InChI

InChI=1S/C20H16ClN3OS/c21-16-8-6-15(7-9-16)19(25)18(23-11-10-22-14-23)20-24(12-13-26-20)17-4-2-1-3-5-17/h1-11,14H,12-13H2/b20-18-

InChIKey

RVDYRISIENGNLE-ZZEZOPTASA-N

Compound name

(2Z)-1-(4-chlorophenyl)-2-imidazol-1-yl-2-(3-phenyl-1,3-thiazolidin-2-ylidene)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 381.07025 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	382.077526	189.7
[M+Na]+	404.059468	197.5
[M-H]-	380.062974	199.1
[M+NH4]+	399.104073	201.7
[M+K]+	420.033408	190.4
[M+H-H2O]+	364.067510	180.2
[M+HCOO]-	426.068451	199.0
[M+CH3COO]-	440.084101	199.1
[M+Na-2H]-	402.044916	184.5
[M]+	381.06970142	190.5
[M]-	381.07079858	190.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.