CID 5917525

624724-60-3

Structural Information

Molecular Formula
C27H20ClN3O2S2
SMILES
COC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4)C5=CC=CC=C5)Cl
InChI
InChI=1S/C27H20ClN3O2S2/c1-33-23-13-12-19(14-22(23)28)25-20(17-31(29-25)21-10-6-3-7-11-21)15-24-26(32)30(27(34)35-24)16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3/b24-15-
InChIKey
DNWCVZNYNCJXEV-IWIPYMOSSA-N
Compound name
(5Z)-3-benzyl-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.06854 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.07582 220.6
[M+Na]+ 540.05776 237.5
[M+NH4]+ 535.10236 228.2
[M+K]+ 556.03170 226.6
[M-H]- 516.06126 229.1
[M+Na-2H]- 538.04321 230.0
[M]+ 517.06799 226.8
[M]- 517.06909 226.8
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.