CID 24842659

Brn 5660383

Structural Information

Molecular Formula
C25H28N4O2S2
SMILES
CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CNC3=CC=C(C=C3)C(=O)N4CCCCC4
InChI
InChI=1S/C25H28N4O2S2/c1-27(2)21-12-6-18(7-13-21)16-22-24(31)29(25(32)33-22)17-26-20-10-8-19(9-11-20)23(30)28-14-4-3-5-15-28/h6-13,16,26H,3-5,14-15,17H2,1-2H3/b22-16+
InChIKey
QGAXGRHLTRHJID-CJLVFECKSA-N
Compound name
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-[[4-(piperidine-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

480.16537 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.17265 208.5
[M+Na]+ 503.15459 218.0
[M+NH4]+ 498.19919 214.8
[M+K]+ 519.12853 209.2
[M-H]- 479.15809 215.3
[M+Na-2H]- 501.14004 215.2
[M]+ 480.16482 212.4
[M]- 480.16592 212.4
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.