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 206.0
[M+Na]+ 461.09640 216.0
[M-H]- 437.09990 214.5
[M+NH4]+ 456.14100 219.1
[M+K]+ 477.07034 208.1
[M+H-H2O]+ 421.10444 199.8
[M+HCOO]- 483.10538 214.8
[M+CH3COO]- 497.12103 215.1
[M+Na-2H]- 459.08185 198.3
[M]+ 438.10663 211.1
[M]- 438.10773 211.1
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.