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]+ 534.07078 228.4
[M+Na]+ 556.05272 237.4
[M-H]- 532.05622 239.8
[M+NH4]+ 551.09732 237.5
[M+K]+ 572.02666 227.9
[M+H-H2O]+ 516.06076 221.7
[M+HCOO]- 578.06170 233.0
[M+CH3COO]- 592.07735 235.6
[M+Na-2H]- 554.03817 221.3
[M]+ 533.06295 232.7
[M]- 533.06405 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.