CID 5927124

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

Structural Information

Molecular Formula
C24H23N3O3S2
SMILES
CCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=C(C=C4)C)C)/SC1=S
InChI
InChI=1S/C24H23N3O3S2/c1-4-11-26-23(30)21(32-24(26)31)20-17-7-5-6-8-18(17)27(22(20)29)13-19(28)25-16-10-9-14(2)15(3)12-16/h5-10,12H,4,11,13H2,1-3H3,(H,25,28)/b21-20-
InChIKey
FMPMESLLBFQOQW-MRCUWXFGSA-N
Compound name
N-(3,4-dimethylphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.11807 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.12535 212.7
[M+Na]+ 488.10729 222.8
[M+NH4]+ 483.15189 218.4
[M+K]+ 504.08123 215.6
[M-H]- 464.11079 216.4
[M+Na-2H]- 486.09274 214.9
[M]+ 465.11752 215.8
[M]- 465.11862 215.8
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.