CID 6017322

611185-66-1

Structural Information

Molecular Formula
C20H24N2O2S2
SMILES
CCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CCCC)/SC1=S
InChI
InChI=1S/C20H24N2O2S2/c1-3-5-9-13-22-19(24)17(26-20(22)25)16-14-10-7-8-11-15(14)21(18(16)23)12-6-4-2/h7-8,10-11H,3-6,9,12-13H2,1-2H3/b17-16-
InChIKey
ZUGSTPKPEBTJIW-MSUUIHNZSA-N
Compound name
(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.12793 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13521 196.5
[M+Na]+ 411.11715 206.0
[M+NH4]+ 406.16175 203.2
[M+K]+ 427.09109 197.9
[M-H]- 387.12065 198.1
[M+Na-2H]- 409.10260 196.5
[M]+ 388.12738 199.0
[M]- 388.12848 199.0
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.