CID 5815044

2-[(3z)-3-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2,6-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C28H23N3O3S2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=CC=C5)/C2=O
InChI
InChI=1S/C28H23N3O3S2/c1-17-9-8-10-18(2)24(17)29-22(32)16-30-21-14-7-6-13-20(21)23(26(30)33)25-27(34)31(28(35)36-25)15-19-11-4-3-5-12-19/h3-14H,15-16H2,1-2H3,(H,29,32)/b25-23-
InChIKey
WNKBBXSIWVAIRK-BZZOAKBMSA-N
Compound name
2-[(3Z)-3-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.1181 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.12538 221.2
[M+Na]+ 536.10732 233.5
[M+NH4]+ 531.15192 227.5
[M+K]+ 552.08126 225.2
[M-H]- 512.11082 227.7
[M+Na-2H]- 534.09277 226.8
[M]+ 513.11755 225.6
[M]- 513.11865 225.6
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.