CID 5856406

N-(2,6-dimethylphenyl)-2-{(3z)-3-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1h-indol-1-yl}acetamide

Structural Information

Molecular Formula
C25H25N3O4S2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CCCOC)/C2=O
InChI
InChI=1S/C25H25N3O4S2/c1-15-8-6-9-16(2)21(15)26-19(29)14-28-18-11-5-4-10-17(18)20(23(28)30)22-24(31)27(25(33)34-22)12-7-13-32-3/h4-6,8-11H,7,12-14H2,1-3H3,(H,26,29)/b22-20-
InChIKey
HSQFOESKOHYSMY-XDOYNYLZSA-N
Compound name
N-(2,6-dimethylphenyl)-2-[(3Z)-3-[3-(3-methoxypropyl)-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

495.12866 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.13594 219.4
[M+Na]+ 518.11788 227.4
[M-H]- 494.12138 227.6
[M+NH4]+ 513.16248 229.6
[M+K]+ 534.09182 219.8
[M+H-H2O]+ 478.12592 213.1
[M+HCOO]- 540.12686 227.5
[M+CH3COO]- 554.14251 240.5
[M+Na-2H]- 516.10333 211.4
[M]+ 495.12811 224.9
[M]- 495.12921 224.9
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.