CID 5895559

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

Structural Information

Molecular Formula
C27H20ClN3O3S2
SMILES
CC(C1=CC=CC=C1)N2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC=CC=C5Cl)/SC2=S
InChI
InChI=1S/C27H20ClN3O3S2/c1-16(17-9-3-2-4-10-17)31-26(34)24(36-27(31)35)23-18-11-5-8-14-21(18)30(25(23)33)15-22(32)29-20-13-7-6-12-19(20)28/h2-14,16H,15H2,1H3,(H,29,32)/b24-23-
InChIKey
JUTFSGACRHIARG-VHXPQNKSSA-N
Compound name
N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(1-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

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.07078 227.6
[M+Na]+ 556.05272 236.1
[M-H]- 532.05622 239.1
[M+NH4]+ 551.09732 236.6
[M+K]+ 572.02666 227.2
[M+H-H2O]+ 516.06076 221.3
[M+HCOO]- 578.06170 231.2
[M+CH3COO]- 592.07735 234.7
[M+Na-2H]- 554.03817 219.9
[M]+ 533.06295 231.5
[M]- 533.06405 231.5
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.