CID 6292486

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

Structural Information

Molecular Formula
C26H19FN2O2S2
SMILES
CC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=C(C=C5)F)/C2=O
InChI
InChI=1S/C26H19FN2O2S2/c1-16-6-8-17(9-7-16)14-28-21-5-3-2-4-20(21)22(24(28)30)23-25(31)29(26(32)33-23)15-18-10-12-19(27)13-11-18/h2-13H,14-15H2,1H3/b23-22-
InChIKey
SKGNDJGKWZPPLM-FCQUAONHSA-N
Compound name
(5Z)-3-[(4-fluorophenyl)methyl]-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

474.0872 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.09448 214.4
[M+Na]+ 497.07642 225.8
[M-H]- 473.07992 225.1
[M+NH4]+ 492.12102 225.9
[M+K]+ 513.05036 215.9
[M+H-H2O]+ 457.08446 206.7
[M+HCOO]- 519.08540 222.6
[M+CH3COO]- 533.10105 223.1
[M+Na-2H]- 495.06187 205.9
[M]+ 474.08665 216.4
[M]- 474.08775 216.4
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.