CID 6268156

(3z)-3-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1-(4-methylbenzyl)-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C25H26N2O2S2
SMILES
CCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C)/SC1=S
InChI
InChI=1S/C25H26N2O2S2/c1-3-4-5-8-15-26-24(29)22(31-25(26)30)21-19-9-6-7-10-20(19)27(23(21)28)16-18-13-11-17(2)12-14-18/h6-7,9-14H,3-5,8,15-16H2,1-2H3/b22-21-
InChIKey
YYWQRQQEEZQIGA-DQRAZIAOSA-N
Compound name
(5Z)-3-hexyl-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.1436 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.15088 210.5
[M+Na]+ 473.13282 222.3
[M+NH4]+ 468.17742 217.6
[M+K]+ 489.10676 213.0
[M-H]- 449.13632 214.8
[M+Na-2H]- 471.11827 213.4
[M]+ 450.14305 214.3
[M]- 450.14415 214.3
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.