CID 5920551

2-{(3z)-3-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1h-indol-1-yl}-n-(2-phenylethyl)acetamide

Structural Information

Molecular Formula
C29H25N3O4S2
SMILES
COC1=CC=C(C=C1)CN2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NCCC5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C29H25N3O4S2/c1-36-21-13-11-20(12-14-21)17-32-28(35)26(38-29(32)37)25-22-9-5-6-10-23(22)31(27(25)34)18-24(33)30-16-15-19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H,30,33)/b26-25-
InChIKey
SKTBCIPGMOIXEF-QPLCGJKRSA-N
Compound name
2-[(3Z)-3-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.12866 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.13594 230.9
[M+Na]+ 566.11788 237.9
[M-H]- 542.12138 241.7
[M+NH4]+ 561.16248 238.4
[M+K]+ 582.09182 229.5
[M+H-H2O]+ 526.12592 223.3
[M+HCOO]- 588.12686 239.4
[M+CH3COO]- 602.14251 237.4
[M+Na-2H]- 564.10333 223.9
[M]+ 543.12811 234.8
[M]- 543.12921 234.8
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.