CID 5942892

(3z)-5-bromo-3-(3-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1-ethyl-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C17H17BrN2O2S2
SMILES
CCCCN1C(=O)/C(=C/2\C3=C(C=CC(=C3)Br)N(C2=O)CC)/SC1=S
InChI
InChI=1S/C17H17BrN2O2S2/c1-3-5-8-20-16(22)14(24-17(20)23)13-11-9-10(18)6-7-12(11)19(4-2)15(13)21/h6-7,9H,3-5,8H2,1-2H3/b14-13-
InChIKey
VPKARDAXXOERHZ-YPKPFQOOSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.9915 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.99878 179.8
[M+Na]+ 446.98072 181.2
[M+NH4]+ 442.02532 183.4
[M+K]+ 462.95466 180.4
[M-H]- 422.98422 180.0
[M+Na-2H]- 444.96617 178.3
[M]+ 423.99095 179.5
[M]- 423.99205 179.5
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.

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No patent data available for this compound.