CID 5807876

617695-00-8

Structural Information

Molecular Formula
C24H22N2O3S2
SMILES
CC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5CCCO5)/C2=O
InChI
InChI=1S/C24H22N2O3S2/c1-15-8-10-16(11-9-15)13-25-19-7-3-2-6-18(19)20(22(25)27)21-23(28)26(24(30)31-21)14-17-5-4-12-29-17/h2-3,6-11,17H,4-5,12-14H2,1H3/b21-20-
InChIKey
YILALMHIAAYXNG-MRCUWXFGSA-N
Compound name
(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.10718 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.11446 205.3
[M+Na]+ 473.09640 216.5
[M+NH4]+ 468.14100 212.7
[M+K]+ 489.07034 210.8
[M-H]- 449.09990 212.1
[M+Na-2H]- 471.08185 208.4
[M]+ 450.10663 209.6
[M]- 450.10773 209.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.