CID 6292798

618077-73-9

Structural Information

Molecular Formula
C20H17BrN2O3S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=CO4)/C1=O
InChI
InChI=1S/C20H17BrN2O3S2/c1-2-3-8-22-15-7-6-12(21)10-14(15)16(18(22)24)17-19(25)23(20(27)28-17)11-13-5-4-9-26-13/h4-7,9-10H,2-3,8,11H2,1H3/b17-16-
InChIKey
DYFBDLXYFUYHLJ-MSUUIHNZSA-N
Compound name
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

475.9864 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.99368 194.4
[M+Na]+ 498.97562 196.1
[M+NH4]+ 494.02022 197.8
[M+K]+ 514.94956 196.9
[M-H]- 474.97912 196.9
[M+Na-2H]- 496.96107 193.3
[M]+ 475.98585 194.9
[M]- 475.98695 194.9
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

patents stripe