CID 3002001

Chembl69227

Structural Information

Molecular Formula
C20H15Cl2N3OS
SMILES
C1CS/C(=C(/C(=O)C2=CC=C(C=C2)Cl)\N3C=CN=C3)/N1C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H15Cl2N3OS/c21-15-3-1-14(2-4-15)19(26)18(24-10-9-23-13-24)20-25(11-12-27-20)17-7-5-16(22)6-8-17/h1-10,13H,11-12H2/b20-18-
InChIKey
FOMONQJVBTXCCC-ZZEZOPTASA-N
Compound name
(2Z)-1-(4-chlorophenyl)-2-[3-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.03128 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.03856 196.3
[M+Na]+ 438.02050 205.0
[M-H]- 414.02400 205.2
[M+NH4]+ 433.06510 207.6
[M+K]+ 453.99444 197.2
[M+H-H2O]+ 398.02854 186.9
[M+HCOO]- 460.02948 200.3
[M+CH3COO]- 474.04513 205.0
[M+Na-2H]- 436.00595 189.7
[M]+ 415.03073 198.6
[M]- 415.03183 198.6
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.