CID 5935728

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

Structural Information

Molecular Formula
C26H20N2O2S2
SMILES
CC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=CC=C5)/C2=O
InChI
InChI=1S/C26H20N2O2S2/c1-17-11-13-19(14-12-17)15-27-21-10-6-5-9-20(21)22(24(27)29)23-25(30)28(26(31)32-23)16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3/b23-22-
InChIKey
ORKJSHVBMPMCPU-FCQUAONHSA-N
Compound name
(5Z)-3-benzyl-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

456.09662 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.10390 211.8
[M+Na]+ 479.08584 222.5
[M-H]- 455.08934 223.5
[M+NH4]+ 474.13044 223.8
[M+K]+ 495.05978 213.1
[M+H-H2O]+ 439.09388 204.8
[M+HCOO]- 501.09482 221.1
[M+CH3COO]- 515.11047 220.8
[M+Na-2H]- 477.07129 204.3
[M]+ 456.09607 214.1
[M]- 456.09717 214.1
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.