CID 5904162

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

Structural Information

Molecular Formula
C25H25N3O3S2
SMILES
CCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=CC(=C4)C)C)/SC1=S
InChI
InChI=1S/C25H25N3O3S2/c1-4-5-12-27-24(31)22(33-25(27)32)21-17-8-6-7-9-19(17)28(23(21)30)14-20(29)26-18-13-15(2)10-11-16(18)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,26,29)/b22-21-
InChIKey
OLSPTUWODHITJH-DQRAZIAOSA-N
Compound name
2-[(3Z)-3-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2,5-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.13373 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.14101 216.6
[M+Na]+ 502.12295 225.1
[M-H]- 478.12645 224.8
[M+NH4]+ 497.16755 227.7
[M+K]+ 518.09689 216.8
[M+H-H2O]+ 462.13099 210.4
[M+HCOO]- 524.13193 224.5
[M+CH3COO]- 538.14758 238.4
[M+Na-2H]- 500.10840 208.1
[M]+ 479.13318 220.8
[M]- 479.13428 220.8
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.