CID 5830591

617697-86-6

Structural Information

Molecular Formula
C23H21BrN2O4S2
SMILES
CCN1C2=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/C23H21BrN2O4S2/c1-4-25-16-7-6-14(24)12-15(16)19(21(25)27)20-22(28)26(23(31)32-20)10-9-13-5-8-17(29-2)18(11-13)30-3/h5-8,11-12H,4,9-10H2,1-3H3/b20-19-
InChIKey
MZZMOVAIFOUHRP-VXPUYCOJSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-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

532.01263 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.01991 204.4
[M+Na]+ 555.00185 206.9
[M+NH4]+ 550.04645 207.2
[M+K]+ 570.97579 205.9
[M-H]- 531.00535 206.1
[M+Na-2H]- 552.98730 204.2
[M]+ 532.01208 204.8
[M]- 532.01318 204.8
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.