CID 9570612

53068-36-3

Structural Information

Molecular Formula
C20H20ClN3O3S
SMILES
COC1=C(C=C(C=C1)CCN\2C(=O)CS/C2=N\N=C/C3=CC=CC=C3Cl)OC
InChI
InChI=1S/C20H20ClN3O3S/c1-26-17-8-7-14(11-18(17)27-2)9-10-24-19(25)13-28-20(24)23-22-12-15-5-3-4-6-16(15)21/h3-8,11-12H,9-10,13H2,1-2H3/b22-12-,23-20-
InChIKey
MJKVYMNJCSCRAS-BVKHJRMRSA-N
Compound name
(2Z)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.0914 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.09868 198.4
[M+Na]+ 440.08062 211.2
[M+NH4]+ 435.12522 205.6
[M+K]+ 456.05456 202.1
[M-H]- 416.08412 204.6
[M+Na-2H]- 438.06607 205.8
[M]+ 417.09085 202.6
[M]- 417.09195 202.6
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.