CID 5780030

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

Structural Information

Molecular Formula
C26H28N2O2S2
SMILES
CCCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C)/SC1=S
InChI
InChI=1S/C26H28N2O2S2/c1-3-4-5-6-9-16-27-25(30)23(32-26(27)31)22-20-10-7-8-11-21(20)28(24(22)29)17-19-14-12-18(2)13-15-19/h7-8,10-15H,3-6,9,16-17H2,1-2H3/b23-22-
InChIKey
VQDMPKYSDINCKT-FCQUAONHSA-N
Compound name
(5Z)-3-heptyl-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

464.1592 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.16648 214.5
[M+Na]+ 487.14842 226.1
[M+NH4]+ 482.19302 221.4
[M+K]+ 503.12236 216.6
[M-H]- 463.15192 218.8
[M+Na-2H]- 485.13387 217.2
[M]+ 464.15865 218.2
[M]- 464.15975 218.2
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.