CID 5922183

617697-76-4

Structural Information

Molecular Formula
C20H14BrFN2O2S2
SMILES
CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=C(C=C4)F)/C1=O
InChI
InChI=1S/C20H14BrFN2O2S2/c1-2-23-15-8-5-12(21)9-14(15)16(18(23)25)17-19(26)24(20(27)28-17)10-11-3-6-13(22)7-4-11/h3-9H,2,10H2,1H3/b17-16-
InChIKey
GMERYKCHYREAAK-MSUUIHNZSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.9664 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.97368 191.7
[M+Na]+ 498.95562 194.5
[M+NH4]+ 494.00022 195.2
[M+K]+ 514.92956 192.9
[M-H]- 474.95912 192.9
[M+Na-2H]- 496.94107 192.1
[M]+ 475.96585 192.0
[M]- 475.96695 192.0
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.