CID 5924692

617696-28-3

Structural Information

Molecular Formula
C20H23BrN2O2S2
SMILES
CCCCCCN1C(=O)/C(=C/2\C3=C(C=CC(=C3)Br)N(C2=O)CCC)/SC1=S
InChI
InChI=1S/C20H23BrN2O2S2/c1-3-5-6-7-11-23-19(25)17(27-20(23)26)16-14-12-13(21)8-9-15(14)22(10-4-2)18(16)24/h8-9,12H,3-7,10-11H2,1-2H3/b17-16-
InChIKey
BIAYVPHMOWSJRS-MSUUIHNZSA-N
Compound name
(5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.03842 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.04570 192.0
[M+Na]+ 489.02764 192.8
[M+NH4]+ 484.07224 195.2
[M+K]+ 505.00158 191.4
[M-H]- 465.03114 192.1
[M+Na-2H]- 487.01309 189.8
[M]+ 466.03787 191.6
[M]- 466.03897 191.6
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.