CID 5808886

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

Structural Information

Molecular Formula
C26H27N3O3S2
SMILES
CCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=CC=C4C)C)/SC1=S
InChI
InChI=1S/C26H27N3O3S2/c1-4-5-8-14-28-25(32)23(34-26(28)33)21-18-12-6-7-13-19(18)29(24(21)31)15-20(30)27-22-16(2)10-9-11-17(22)3/h6-7,9-13H,4-5,8,14-15H2,1-3H3,(H,27,30)/b23-21-
InChIKey
FQXWHDBIBRMNJD-LNVKXUELSA-N
Compound name
N-(2,6-dimethylphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.14938 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.156656 220.5
[M+Na]+ 516.138598 228.5
[M-H]- 492.142104 228.5
[M+NH4]+ 511.183203 231.0
[M+K]+ 532.112538 220.0
[M+H-H2O]+ 476.146640 214.1
[M+HCOO]- 538.147581 228.1
[M+CH3COO]- 552.163231 241.2
[M+Na-2H]- 514.124046 211.6
[M]+ 493.14883142 225.0
[M]- 493.14992858 225.0
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.