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]+ 458.983106 187.2
[M+Na]+ 480.965048 202.3
[M-H]- 456.968554 198.8
[M+NH4]+ 476.009653 204.1
[M+K]+ 496.938988 187.6
[M+H-H2O]+ 440.973090 189.0
[M+HCOO]- 502.974031 195.9
[M+CH3COO]- 516.989681 200.0
[M+Na-2H]- 478.950496 183.7
[M]+ 457.97528142 208.5
[M]- 457.97637858 208.5
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.