CID 5841887

617696-63-6

Structural Information

Molecular Formula
C24H23BrN2O4S2
SMILES
CCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)/C1=O
InChI
InChI=1S/C24H23BrN2O4S2/c1-4-10-26-17-7-6-15(25)13-16(17)20(22(26)28)21-23(29)27(24(32)33-21)11-9-14-5-8-18(30-2)19(12-14)31-3/h5-8,12-13H,4,9-11H2,1-3H3/b21-20-
InChIKey
MXDKWNKHDROHJV-MRCUWXFGSA-N
Compound name
(5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.02826 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.03554 208.4
[M+Na]+ 569.01748 210.7
[M+NH4]+ 564.06208 211.0
[M+K]+ 584.99142 209.5
[M-H]- 545.02098 210.1
[M+Na-2H]- 567.00293 208.0
[M]+ 546.02771 208.8
[M]- 546.02881 208.8
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.