CID 5911958

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

Structural Information

Molecular Formula
C26H27N3O3S2
SMILES
CCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4C)/SC1=S
InChI
InChI=1S/C26H27N3O3S2/c1-3-4-5-10-15-28-25(32)23(34-26(28)33)22-18-12-7-9-14-20(18)29(24(22)31)16-21(30)27-19-13-8-6-11-17(19)2/h6-9,11-14H,3-5,10,15-16H2,1-2H3,(H,27,30)/b23-22-
InChIKey
CKBRVIZPLUXYQQ-FCQUAONHSA-N
Compound name
2-[(3Z)-3-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.14938 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.156656 220.3
[M+Na]+ 516.138598 227.7
[M-H]- 492.142104 228.1
[M+NH4]+ 511.183203 230.6
[M+K]+ 532.112538 219.1
[M+H-H2O]+ 476.146640 213.7
[M+HCOO]- 538.147581 228.1
[M+CH3COO]- 552.163231 239.9
[M+Na-2H]- 514.124046 212.0
[M]+ 493.14883142 224.4
[M]- 493.14992858 224.4
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.