CID 2139233

618075-38-0

Structural Information

Molecular Formula
C17H17BrN2O2S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC)/C1=O
InChI
InChI=1S/C17H17BrN2O2S2/c1-3-5-8-20-12-7-6-10(18)9-11(12)13(15(20)21)14-16(22)19(4-2)17(23)24-14/h6-7,9H,3-5,8H2,1-2H3/b14-13-
InChIKey
DOJUGMZFPZXFGT-YPKPFQOOSA-N
Compound name
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-ethyl-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.

Patent stripe

No patent data available for this compound.