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]+ 409.103896 198.7
[M+Na]+ 431.085838 209.7
[M-H]- 407.089344 207.5
[M+NH4]+ 426.130443 213.3
[M+K]+ 447.059778 201.3
[M+H-H2O]+ 391.093880 192.8
[M+HCOO]- 453.094821 207.7
[M+CH3COO]- 467.110471 208.5
[M+Na-2H]- 429.071286 191.1
[M]+ 408.09607142 202.3
[M]- 408.09716858 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.