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 209.7
[M+Na]+ 467.17974 217.2
[M-H]- 443.18324 213.8
[M+NH4]+ 462.22434 222.8
[M+K]+ 483.15368 208.8
[M+H-H2O]+ 427.18778 203.5
[M+HCOO]- 489.18872 216.4
[M+CH3COO]- 503.20437 230.2
[M+Na-2H]- 465.16519 199.9
[M]+ 444.18997 215.7
[M]- 444.19107 215.7
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.