CID 5893551

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

Structural Information

Molecular Formula
C27H20FN3O4S2
SMILES
COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=C(C=C5)F)/C2=O
InChI
InChI=1S/C27H20FN3O4S2/c1-35-19-12-10-18(11-13-19)29-22(32)15-30-21-5-3-2-4-20(21)23(25(30)33)24-26(34)31(27(36)37-24)14-16-6-8-17(28)9-7-16/h2-13H,14-15H2,1H3,(H,29,32)/b24-23-
InChIKey
LLMPRKCXBTXIOT-VHXPQNKSSA-N
Compound name
2-[(3Z)-3-[3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.08795 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.09523 226.1
[M+Na]+ 556.07717 234.7
[M-H]- 532.08067 236.3
[M+NH4]+ 551.12177 234.2
[M+K]+ 572.05111 226.2
[M+H-H2O]+ 516.08521 218.2
[M+HCOO]- 578.08615 234.2
[M+CH3COO]- 592.10180 233.1
[M+Na-2H]- 554.06262 218.8
[M]+ 533.08740 229.1
[M]- 533.08850 229.1
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.