CID 5912070

617697-83-3

Structural Information

Molecular Formula
C16H15BrN2O2S2
SMILES
CCCN1C(=O)/C(=C/2\C3=C(C=CC(=C3)Br)N(C2=O)CC)/SC1=S
InChI
InChI=1S/C16H15BrN2O2S2/c1-3-7-19-15(21)13(23-16(19)22)12-10-8-9(17)5-6-11(10)18(4-2)14(12)20/h5-6,8H,3-4,7H2,1-2H3/b13-12-
InChIKey
BTCYUMYSGWPOEC-SEYXRHQNSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.97583 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.98311 175.7
[M+Na]+ 432.96505 177.3
[M+NH4]+ 428.00965 179.5
[M+K]+ 448.93899 176.8
[M-H]- 408.96855 176.0
[M+Na-2H]- 430.95050 174.5
[M]+ 409.97528 175.5
[M]- 409.97638 175.5
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.