CID 5912334

Methyl 4-({[(3z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1h-indol-1-yl]acetyl}amino)benzoate

Structural Information

Molecular Formula
C24H21N3O5S2
SMILES
CCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C(=O)OC)/SC1=S
InChI
InChI=1S/C24H21N3O5S2/c1-3-12-26-22(30)20(34-24(26)33)19-16-6-4-5-7-17(16)27(21(19)29)13-18(28)25-15-10-8-14(9-11-15)23(31)32-2/h4-11H,3,12-13H2,1-2H3,(H,25,28)/b20-19-
InChIKey
PCJYRMLTKJNEGS-VXPUYCOJSA-N
Compound name
methyl 4-[[2-[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.09225 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.09953 216.3
[M+Na]+ 518.08147 224.7
[M+NH4]+ 513.12607 220.5
[M+K]+ 534.05541 219.3
[M-H]- 494.08497 218.5
[M+Na-2H]- 516.06692 217.9
[M]+ 495.09170 218.5
[M]- 495.09280 218.5
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.