CID 5826442

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

Structural Information

Molecular Formula
C27H29N3O3S2
SMILES
CCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=CC(=C4)C)C)/SC1=S
InChI
InChI=1S/C27H29N3O3S2/c1-4-5-6-9-14-29-26(33)24(35-27(29)34)23-19-10-7-8-11-21(19)30(25(23)32)16-22(31)28-20-15-17(2)12-13-18(20)3/h7-8,10-13,15H,4-6,9,14,16H2,1-3H3,(H,28,31)/b24-23-
InChIKey
RDWINURNJHIWJZ-VHXPQNKSSA-N
Compound name
N-(2,5-dimethylphenyl)-2-[(3Z)-3-(3-hexyl-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

507.16504 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.17232 224.5
[M+Na]+ 530.15426 234.0
[M+NH4]+ 525.19886 229.7
[M+K]+ 546.12820 226.2
[M-H]- 506.15776 228.1
[M+Na-2H]- 528.13971 226.2
[M]+ 507.16449 227.5
[M]- 507.16559 227.5
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.