CID 6108902

611185-65-0

Structural Information

Molecular Formula
C24H32N2O2S2
SMILES
CCCCCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)CCCCCC)/C1=O
InChI
InChI=1S/C24H32N2O2S2/c1-3-5-7-9-13-16-25-19-15-11-10-14-18(19)20(22(25)27)21-23(28)26(24(29)30-21)17-12-8-6-4-2/h10-11,14-15H,3-9,12-13,16-17H2,1-2H3/b21-20-
InChIKey
MDPWMEYXVSTYLH-MRCUWXFGSA-N
Compound name
(5Z)-5-(1-heptyl-2-oxoindol-3-ylidene)-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.19052 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.19780 212.5
[M+Na]+ 467.17974 221.1
[M+NH4]+ 462.22434 218.5
[M+K]+ 483.15368 212.1
[M-H]- 443.18324 213.9
[M+Na-2H]- 465.16519 211.6
[M]+ 444.18997 214.8
[M]- 444.19107 214.8
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.