CID 5941419

617697-80-0

Structural Information

Molecular Formula
C20H15BrN2O2S2
SMILES
CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4)/C1=O
InChI
InChI=1S/C20H15BrN2O2S2/c1-2-22-15-9-8-13(21)10-14(15)16(18(22)24)17-19(25)23(20(26)27-17)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3/b17-16-
InChIKey
PERMIENVUHUEGE-MSUUIHNZSA-N
Compound name
(5Z)-3-benzyl-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.97583 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.98311 183.9
[M+Na]+ 480.96505 187.3
[M+NH4]+ 476.00965 188.2
[M+K]+ 496.93899 185.8
[M-H]- 456.96855 186.5
[M+Na-2H]- 478.95050 185.5
[M]+ 457.97528 184.7
[M]- 457.97638 184.7
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.