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 215.7
[M+Na]+ 493.10149 225.9
[M-H]- 469.10499 227.2
[M+NH4]+ 488.14609 227.1
[M+K]+ 509.07543 216.3
[M+H-H2O]+ 453.10953 208.5
[M+HCOO]- 515.11047 224.7
[M+CH3COO]- 529.12612 224.2
[M+Na-2H]- 491.08694 207.8
[M]+ 470.11172 218.3
[M]- 470.11282 218.3
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.