CID 5942110

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

Structural Information

Molecular Formula
C27H27N3O3S2
SMILES
C1CCC(CC1)N2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NCCC5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C27H27N3O3S2/c31-22(28-16-15-18-9-3-1-4-10-18)17-29-21-14-8-7-13-20(21)23(25(29)32)24-26(33)30(27(34)35-24)19-11-5-2-6-12-19/h1,3-4,7-10,13-14,19H,2,5-6,11-12,15-17H2,(H,28,31)/b24-23-
InChIKey
CDFNITPWLTUYTB-VHXPQNKSSA-N
Compound name
2-[(3Z)-3-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.14938 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.15666 220.9
[M+Na]+ 528.13860 225.6
[M-H]- 504.14210 230.4
[M+NH4]+ 523.18320 229.7
[M+K]+ 544.11254 217.4
[M+H-H2O]+ 488.14664 213.7
[M+HCOO]- 550.14758 225.9
[M+CH3COO]- 564.16323 226.7
[M+Na-2H]- 526.12405 212.5
[M]+ 505.14883 218.7
[M]- 505.14993 218.7
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.