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]+ 534.070776 229.0
[M+Na]+ 556.052718 238.7
[M-H]- 532.056224 240.7
[M+NH4]+ 551.097323 238.3
[M+K]+ 572.026658 229.1
[M+H-H2O]+ 516.060760 222.5
[M+HCOO]- 578.061701 233.5
[M+CH3COO]- 592.077351 236.4
[M+Na-2H]- 554.038166 221.2
[M]+ 533.06295142 233.7
[M]- 533.06404858 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.