CID 5819483

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

Structural Information

Molecular Formula
C25H23N3O5S2
SMILES
CCCCN1C(=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/C25H23N3O5S2/c1-3-4-13-27-23(31)21(35-25(27)34)20-17-7-5-6-8-18(17)28(22(20)30)14-19(29)26-16-11-9-15(10-12-16)24(32)33-2/h5-12H,3-4,13-14H2,1-2H3,(H,26,29)/b21-20-
InChIKey
GWZFSKMDFZWGDI-MRCUWXFGSA-N
Compound name
methyl 4-[[2-[(3Z)-3-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.1079 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.11518 220.2
[M+Na]+ 532.09712 228.4
[M+NH4]+ 527.14172 224.2
[M+K]+ 548.07106 222.7
[M-H]- 508.10062 222.4
[M+Na-2H]- 530.08257 221.6
[M]+ 509.10735 222.4
[M]- 509.10845 222.4
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.