CID 5889978

2-{(3z)-3-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1h-indol-1-yl}-n-(2,4-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C28H22ClN3O3S2
SMILES
CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=CC=C5Cl)/C2=O)C
InChI
InChI=1S/C28H22ClN3O3S2/c1-16-11-12-21(17(2)13-16)30-23(33)15-31-22-10-6-4-8-19(22)24(26(31)34)25-27(35)32(28(36)37-25)14-18-7-3-5-9-20(18)29/h3-13H,14-15H2,1-2H3,(H,30,33)/b25-24-
InChIKey
HHFCQCOPXYPXID-IZHYLOQSSA-N
Compound name
2-[(3Z)-3-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2,4-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.0791 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.08638 233.3
[M+Na]+ 570.06832 243.1
[M-H]- 546.07182 245.0
[M+NH4]+ 565.11292 242.2
[M+K]+ 586.04226 233.4
[M+H-H2O]+ 530.07636 226.8
[M+HCOO]- 592.07730 237.3
[M+CH3COO]- 606.09295 240.5
[M+Na-2H]- 568.05377 224.4
[M]+ 547.07855 238.6
[M]- 547.07965 238.6
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.