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 213.6
[M+Na]+ 503.15459 217.1
[M-H]- 479.15809 223.1
[M+NH4]+ 498.19919 220.7
[M+K]+ 519.12853 209.3
[M+H-H2O]+ 463.16263 204.0
[M+HCOO]- 525.16357 220.6
[M+CH3COO]- 539.17922 219.6
[M+Na-2H]- 501.14004 207.4
[M]+ 480.16482 211.0
[M]- 480.16592 211.0
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.