CID 1591728

(3z)-3-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-pentyl-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C23H22N2O3S2
SMILES
CCCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)C4=CC=C(C=C4)OC)/C1=O
InChI
InChI=1S/C23H22N2O3S2/c1-3-4-7-14-24-18-9-6-5-8-17(18)19(21(24)26)20-22(27)25(23(29)30-20)15-10-12-16(28-2)13-11-15/h5-6,8-13H,3-4,7,14H2,1-2H3/b20-19-
InChIKey
UQBNYVWWOHEANC-VXPUYCOJSA-N
Compound name
(5Z)-3-(4-methoxyphenyl)-5-(2-oxo-1-pentylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.10718 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.11446 205.7
[M+Na]+ 461.09640 217.5
[M+NH4]+ 456.14100 212.6
[M+K]+ 477.07034 209.1
[M-H]- 437.09990 209.7
[M+Na-2H]- 459.08185 208.7
[M]+ 438.10663 209.3
[M]- 438.10773 209.3
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.