CID 1828827

623933-22-2

Structural Information

Molecular Formula
C28H23N3O3S2
SMILES
COC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C28H23N3O3S2/c1-33-23-12-8-19(9-13-23)17-30-27(32)25(36-28(30)35)16-21-18-31(22-6-4-3-5-7-22)29-26(21)20-10-14-24(34-2)15-11-20/h3-16,18H,17H2,1-2H3/b25-16-
InChIKey
DDJZEXNXNRKMOZ-XYGWBWBKSA-N
Compound name
(5Z)-3-[(4-methoxyphenyl)methyl]-5-[[3-(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

513.1181 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.12538 220.6
[M+Na]+ 536.10732 236.0
[M+NH4]+ 531.15192 227.3
[M+K]+ 552.08126 226.5
[M-H]- 512.11082 228.6
[M+Na-2H]- 534.09277 229.6
[M]+ 513.11755 226.1
[M]- 513.11865 226.1
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.