CID 5916751

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

Structural Information

Molecular Formula
C27H20ClN3O3S2
SMILES
C1=CC=C(C=C1)CCN2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC=CC=C5Cl)/SC2=S
InChI
InChI=1S/C27H20ClN3O3S2/c28-19-11-5-6-12-20(19)29-22(32)16-31-21-13-7-4-10-18(21)23(25(31)33)24-26(34)30(27(35)36-24)15-14-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,29,32)/b24-23-
InChIKey
JSOPQXFYAXMYTB-VHXPQNKSSA-N
Compound name
N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.0635 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.070776 228.4
[M+Na]+ 556.052718 237.4
[M-H]- 532.056224 239.8
[M+NH4]+ 551.097323 237.5
[M+K]+ 572.026658 227.9
[M+H-H2O]+ 516.060760 221.7
[M+HCOO]- 578.061701 233.0
[M+CH3COO]- 592.077351 235.6
[M+Na-2H]- 554.038166 221.3
[M]+ 533.06295142 232.7
[M]- 533.06404858 232.7
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.