CID 6185992

N-(2,4-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=C(C=C4)C)C)/SC1=S
InChI
InChI=1S/C26H27N3O3S2/c1-4-5-8-13-28-25(32)23(34-26(28)33)22-18-9-6-7-10-20(18)29(24(22)31)15-21(30)27-19-12-11-16(2)14-17(19)3/h6-7,9-12,14H,4-5,8,13,15H2,1-3H3,(H,27,30)/b23-22-
InChIKey
FOIYFDDEAMRFJJ-FCQUAONHSA-N
Compound name
N-(2,4-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]+ 494.15666 220.5
[M+Na]+ 516.13860 228.5
[M-H]- 492.14210 228.5
[M+NH4]+ 511.18320 231.0
[M+K]+ 532.11254 220.0
[M+H-H2O]+ 476.14664 214.1
[M+HCOO]- 538.14758 228.1
[M+CH3COO]- 552.16323 241.2
[M+Na-2H]- 514.12405 211.6
[M]+ 493.14883 225.0
[M]- 493.14993 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.