CID 5856405

N-(2,4-dimethoxyphenyl)-2-{(3z)-3-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1h-indol-1-yl}acetamide

Structural Information

Molecular Formula
C24H23N3O6S2
SMILES
COCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=C(C=C4)OC)OC)/SC1=S
InChI
InChI=1S/C24H23N3O6S2/c1-31-11-10-26-23(30)21(35-24(26)34)20-15-6-4-5-7-17(15)27(22(20)29)13-19(28)25-16-9-8-14(32-2)12-18(16)33-3/h4-9,12H,10-11,13H2,1-3H3,(H,25,28)/b21-20-
InChIKey
QBDXEYVFJCWURL-MRCUWXFGSA-N
Compound name
N-(2,4-dimethoxyphenyl)-2-[(3Z)-3-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.10284 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.11012 220.4
[M+Na]+ 536.09206 227.7
[M-H]- 512.09556 228.6
[M+NH4]+ 531.13666 229.4
[M+K]+ 552.06600 221.9
[M+H-H2O]+ 496.10010 214.1
[M+HCOO]- 558.10104 229.1
[M+CH3COO]- 572.11669 242.1
[M+Na-2H]- 534.07751 213.9
[M]+ 513.10229 228.2
[M]- 513.10339 228.2
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.