CID 5891867

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

Structural Information

Molecular Formula
C29H25N3O4S2
SMILES
CC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=C(C=C5)OC)/C2=O)C
InChI
InChI=1S/C29H25N3O4S2/c1-17-8-13-22(18(2)14-17)30-24(33)16-31-23-7-5-4-6-21(23)25(27(31)34)26-28(35)32(29(37)38-26)15-19-9-11-20(36-3)12-10-19/h4-14H,15-16H2,1-3H3,(H,30,33)/b26-25-
InChIKey
DCCMJDSCXPPCMM-QPLCGJKRSA-N
Compound name
N-(2,4-dimethylphenyl)-2-[(3Z)-3-[3-[(4-methoxyphenyl)methyl]-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

543.12866 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.13594 231.9
[M+Na]+ 566.11788 240.2
[M-H]- 542.12138 243.4
[M+NH4]+ 561.16248 239.8
[M+K]+ 582.09182 231.9
[M+H-H2O]+ 526.12592 224.8
[M+HCOO]- 588.12686 240.2
[M+CH3COO]- 602.14251 238.9
[M+Na-2H]- 564.10333 223.7
[M]+ 543.12811 236.7
[M]- 543.12921 236.7
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.