CID 2139065

617694-93-6

Structural Information

Molecular Formula
C23H20N2O4S2
SMILES
CC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CCCC(=O)O)/C2=O
InChI
InChI=1S/C23H20N2O4S2/c1-14-8-10-15(11-9-14)13-25-17-6-3-2-5-16(17)19(21(25)28)20-22(29)24(23(30)31-20)12-4-7-18(26)27/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,26,27)/b20-19-
InChIKey
JGFAWPHZNUJCIY-VXPUYCOJSA-N
Compound name
4-[(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.08646 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.09374 207.6
[M+Na]+ 475.07568 217.8
[M+NH4]+ 470.12028 213.1
[M+K]+ 491.04962 211.1
[M-H]- 451.07918 210.1
[M+Na-2H]- 473.06113 209.5
[M]+ 452.08591 210.4
[M]- 452.08701 210.4
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.