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]+ 494.15666 220.3
[M+Na]+ 516.13860 227.7
[M-H]- 492.14210 228.1
[M+NH4]+ 511.18320 230.6
[M+K]+ 532.11254 219.1
[M+H-H2O]+ 476.14664 213.7
[M+HCOO]- 538.14758 228.1
[M+CH3COO]- 552.16323 239.9
[M+Na-2H]- 514.12405 212.0
[M]+ 493.14883 224.4
[M]- 493.14993 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.