CID 5792658

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

Structural Information

Molecular Formula
C27H20ClN3O3S2
SMILES
CC1=CC=C(C=C1)CN2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC=CC=C5Cl)/SC2=S
InChI
InChI=1S/C27H20ClN3O3S2/c1-16-10-12-17(13-11-16)14-31-26(34)24(36-27(31)35)23-18-6-2-5-9-21(18)30(25(23)33)15-22(32)29-20-8-4-3-7-19(20)28/h2-13H,14-15H2,1H3,(H,29,32)/b24-23-
InChIKey
IRHMJCBWYUVZAO-VHXPQNKSSA-N
Compound name
N-(2-chlorophenyl)-2-[(3Z)-3-[3-[(4-methylphenyl)methyl]-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

533.0635 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.07078 229.0
[M+Na]+ 556.05272 238.7
[M-H]- 532.05622 240.7
[M+NH4]+ 551.09732 238.3
[M+K]+ 572.02666 229.1
[M+H-H2O]+ 516.06076 222.5
[M+HCOO]- 578.06170 233.5
[M+CH3COO]- 592.07735 236.4
[M+Na-2H]- 554.03817 221.2
[M]+ 533.06295 233.7
[M]- 533.06405 233.7
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.