CID 5796332

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

Structural Information

Molecular Formula
C27H22N2O2S2
SMILES
CC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CCC5=CC=CC=C5)/C2=O
InChI
InChI=1S/C27H22N2O2S2/c1-18-11-13-20(14-12-18)17-29-22-10-6-5-9-21(22)23(25(29)30)24-26(31)28(27(32)33-24)16-15-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3/b24-23-
InChIKey
RPCRMNAPGCPIHO-VHXPQNKSSA-N
Compound name
(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.11227 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.11955 211.4
[M+Na]+ 493.10149 225.8
[M+NH4]+ 488.14609 219.3
[M+K]+ 509.07543 215.7
[M-H]- 469.10499 218.5
[M+Na-2H]- 491.08694 218.1
[M]+ 470.11172 216.5
[M]- 470.11282 216.5
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.