CID 6268646

2-{(3z)-3-[3-(2-chlorobenzyl)-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
C27H20ClN3O4S2
SMILES
COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=CC=C5Cl)/C2=O
InChI
InChI=1S/C27H20ClN3O4S2/c1-35-18-12-10-17(11-13-18)29-22(32)15-30-21-9-5-3-7-19(21)23(25(30)33)24-26(34)31(27(36)37-24)14-16-6-2-4-8-20(16)28/h2-13H,14-15H2,1H3,(H,29,32)/b24-23-
InChIKey
WFIXJFLJWYMEEW-VHXPQNKSSA-N
Compound name
2-[(3Z)-3-[3-[(2-chlorophenyl)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

549.05835 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.06563 231.3
[M+Na]+ 572.04757 240.4
[M-H]- 548.05107 242.9
[M+NH4]+ 567.09217 239.7
[M+K]+ 588.02151 231.7
[M+H-H2O]+ 532.05561 224.8
[M+HCOO]- 594.05655 235.9
[M+CH3COO]- 608.07220 238.4
[M+Na-2H]- 570.03302 224.1
[M]+ 549.05780 237.2
[M]- 549.05890 237.2
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.