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]+ 439.114456 206.0
[M+Na]+ 461.096398 216.0
[M-H]- 437.099904 214.5
[M+NH4]+ 456.141003 219.1
[M+K]+ 477.070338 208.1
[M+H-H2O]+ 421.104440 199.8
[M+HCOO]- 483.105381 214.8
[M+CH3COO]- 497.121031 215.1
[M+Na-2H]- 459.081846 198.3
[M]+ 438.10663142 211.1
[M]- 438.10772858 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.