CID 2139023

609795-05-3

Structural Information

Molecular Formula
C22H20N2O2S2
SMILES
CCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C)/SC1=S
InChI
InChI=1S/C22H20N2O2S2/c1-3-12-23-21(26)19(28-22(23)27)18-16-6-4-5-7-17(16)24(20(18)25)13-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3/b19-18-
InChIKey
QGBOBQUYNUIYKS-HNENSFHCSA-N
Compound name
(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.09662 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.10390 198.4
[M+Na]+ 431.08584 210.9
[M+NH4]+ 426.13044 206.0
[M+K]+ 447.05978 202.1
[M-H]- 407.08934 202.9
[M+Na-2H]- 429.07129 202.0
[M]+ 408.09607 202.3
[M]- 408.09717 202.3
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.