CID 5914544

2-[(3z)-3-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2,4-dimethoxyphenyl)acetamide

Structural Information

Molecular Formula
C28H23N3O5S2
SMILES
COC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=CC=C5)/C2=O)OC
InChI
InChI=1S/C28H23N3O5S2/c1-35-18-12-13-20(22(14-18)36-2)29-23(32)16-30-21-11-7-6-10-19(21)24(26(30)33)25-27(34)31(28(37)38-25)15-17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,29,32)/b25-24-
InChIKey
RDRPOMWDOGUAHI-IZHYLOQSSA-N
Compound name
2-[(3Z)-3-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.1079 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.11518 230.1
[M+Na]+ 568.09712 237.7
[M-H]- 544.10062 241.4
[M+NH4]+ 563.14172 237.6
[M+K]+ 584.07106 230.4
[M+H-H2O]+ 528.10516 222.9
[M+HCOO]- 590.10610 239.0
[M+CH3COO]- 604.12175 237.0
[M+Na-2H]- 566.08257 223.5
[M]+ 545.10735 235.5
[M]- 545.10845 235.5
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.