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 220.7
[M+Na]+ 537.13892 225.3
[M-H]- 513.14242 230.5
[M+NH4]+ 532.18352 224.3
[M+K]+ 553.11286 215.2
[M+H-H2O]+ 497.14696 210.0
[M+HCOO]- 559.14790 225.8
[M+CH3COO]- 573.16355 225.7
[M+Na-2H]- 535.12437 214.9
[M]+ 514.14915 216.3
[M]- 514.15025 216.3
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.