CID 5868737

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

Structural Information

Molecular Formula
C22H19N3O3S2
SMILES
CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)C)/C2=O)C
InChI
InChI=1S/C22H19N3O3S2/c1-12-8-9-14(10-13(12)2)23-17(26)11-25-16-7-5-4-6-15(16)18(20(25)27)19-21(28)24(3)22(29)30-19/h4-10H,11H2,1-3H3,(H,23,26)/b19-18-
InChIKey
NQNQMDDHEPFSGD-HNENSFHCSA-N
Compound name
N-(3,4-dimethylphenyl)-2-[(3Z)-3-(3-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

437.0868 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.09408 204.8
[M+Na]+ 460.07602 215.3
[M+NH4]+ 455.12062 210.8
[M+K]+ 476.04996 208.5
[M-H]- 436.07952 208.5
[M+Na-2H]- 458.06147 207.4
[M]+ 437.08625 208.0
[M]- 437.08735 208.0
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.