CID 5865280

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

Structural Information

Molecular Formula
C28H31N3O3S2
SMILES
CCCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=C(C=C4)C)C)/SC1=S
InChI
InChI=1S/C28H31N3O3S2/c1-4-5-6-7-10-15-30-27(34)25(36-28(30)35)24-20-11-8-9-12-22(20)31(26(24)33)17-23(32)29-21-14-13-18(2)16-19(21)3/h8-9,11-14,16H,4-7,10,15,17H2,1-3H3,(H,29,32)/b25-24-
InChIKey
DRTXKDHZVXOITH-IZHYLOQSSA-N
Compound name
N-(2,4-dimethylphenyl)-2-[(3Z)-3-(3-heptyl-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

521.18066 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.18794 228.5
[M+Na]+ 544.16988 237.8
[M+NH4]+ 539.21448 233.5
[M+K]+ 560.14382 229.7
[M-H]- 520.17338 232.0
[M+Na-2H]- 542.15533 229.9
[M]+ 521.18011 231.4
[M]- 521.18121 231.4
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.