CID 5774291

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

Structural Information

Molecular Formula
C24H23N3O4S2
SMILES
CCC(C)N1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)OC)/SC1=S
InChI
InChI=1S/C24H23N3O4S2/c1-4-14(2)27-23(30)21(33-24(27)32)20-17-7-5-6-8-18(17)26(22(20)29)13-19(28)25-15-9-11-16(31-3)12-10-15/h5-12,14H,4,13H2,1-3H3,(H,25,28)/b21-20-
InChIKey
NGIMMHSTXGPSEJ-MRCUWXFGSA-N
Compound name
2-[(3Z)-3-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.113 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.12028 215.1
[M+Na]+ 504.10222 222.4
[M-H]- 480.10572 223.3
[M+NH4]+ 499.14682 225.6
[M+K]+ 520.07616 215.7
[M+H-H2O]+ 464.11026 209.0
[M+HCOO]- 526.11120 222.6
[M+CH3COO]- 540.12685 237.3
[M+Na-2H]- 502.08767 207.4
[M]+ 481.11245 219.5
[M]- 481.11355 219.5
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.