CID 5911943

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

Structural Information

Molecular Formula
C24H23N3O3S2
SMILES
CCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4C)/SC1=S
InChI
InChI=1S/C24H23N3O3S2/c1-3-4-13-26-23(30)21(32-24(26)31)20-16-10-6-8-12-18(16)27(22(20)29)14-19(28)25-17-11-7-5-9-15(17)2/h5-12H,3-4,13-14H2,1-2H3,(H,25,28)/b21-20-
InChIKey
KQCTZVXJSYNMET-MRCUWXFGSA-N
Compound name
2-[(3Z)-3-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-methylphenyl)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 211.5
[M+Na]+ 488.10729 221.4
[M+NH4]+ 483.15189 217.2
[M+K]+ 504.08123 214.0
[M-H]- 464.11079 215.1
[M+Na-2H]- 486.09274 214.1
[M]+ 465.11752 214.5
[M]- 465.11862 214.5
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.