CID 5912586

2-[(3z)-3-(3-isobutyl-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
CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC(C)C)/C2=O
InChI
InChI=1S/C24H23N3O3S2/c1-14(2)12-27-23(30)21(32-24(27)31)20-16-9-5-7-11-18(16)26(22(20)29)13-19(28)25-17-10-6-4-8-15(17)3/h4-11,14H,12-13H2,1-3H3,(H,25,28)/b21-20-
InChIKey
NSURCXYPKQZIHJ-MRCUWXFGSA-N
Compound name
N-(2-methylphenyl)-2-[(3Z)-3-[3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.11807 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.12535 210.5
[M+Na]+ 488.10729 220.0
[M+NH4]+ 483.15189 216.1
[M+K]+ 504.08123 213.5
[M-H]- 464.11079 214.0
[M+Na-2H]- 486.09274 212.9
[M]+ 465.11752 213.4
[M]- 465.11862 213.4
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.