CID 24842044

Brn 5676269

Structural Information

Molecular Formula
C28H25ClN4O2S2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NCN4C(=O)/C(=C\C5=CC=C(C=C5)Cl)/SC4=S
InChI
InChI=1S/C28H25ClN4O2S2/c29-22-10-6-20(7-11-22)18-25-27(35)33(28(36)37-25)19-30-23-12-8-21(9-13-23)26(34)32-16-14-31(15-17-32)24-4-2-1-3-5-24/h1-13,18,30H,14-17,19H2/b25-18+
InChIKey
FUPKCLIEEFKLDV-XIEYBQDHSA-N
Compound name
(5E)-5-[(4-chlorophenyl)methylidene]-3-[[4-(4-phenylpiperazine-1-carbonyl)anilino]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.1107 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.11798 222.4
[M+Na]+ 571.09992 236.3
[M+NH4]+ 566.14452 229.0
[M+K]+ 587.07386 225.0
[M-H]- 547.10342 230.6
[M+Na-2H]- 569.08537 231.4
[M]+ 548.11015 227.8
[M]- 548.11125 227.8
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.