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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.07753 189.7
[M+Na]+ 404.05947 197.5
[M-H]- 380.06297 199.1
[M+NH4]+ 399.10407 201.7
[M+K]+ 420.03341 190.4
[M+H-H2O]+ 364.06751 180.2
[M+HCOO]- 426.06845 199.0
[M+CH3COO]- 440.08410 199.1
[M+Na-2H]- 402.04492 184.5
[M]+ 381.06970 190.5
[M]- 381.07080 190.5
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.