CID 6366666

Brn 5671080

Structural Information

Molecular Formula
C28H26N4O2S2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NCN4C(=O)/C(=C\C5=CC=CC=C5)/SC4=S
InChI
InChI=1S/C28H26N4O2S2/c33-26(31-17-15-30(16-18-31)24-9-5-2-6-10-24)22-11-13-23(14-12-22)29-20-32-27(34)25(36-28(32)35)19-21-7-3-1-4-8-21/h1-14,19,29H,15-18,20H2/b25-19+
InChIKey
WCTAMSLDWAJWCW-NCELDCMTSA-N
Compound name
(5E)-5-benzylidene-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

514.1497 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.15698 214.4
[M+Na]+ 537.13892 227.2
[M+NH4]+ 532.18352 220.8
[M+K]+ 553.11286 216.8
[M-H]- 513.14242 222.6
[M+Na-2H]- 535.12437 223.8
[M]+ 514.14915 219.3
[M]- 514.15025 219.3
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.