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 198.7
[M+Na]+ 431.08584 209.7
[M-H]- 407.08934 207.5
[M+NH4]+ 426.13044 213.3
[M+K]+ 447.05978 201.3
[M+H-H2O]+ 391.09388 192.8
[M+HCOO]- 453.09482 207.7
[M+CH3COO]- 467.11047 208.5
[M+Na-2H]- 429.07129 191.1
[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.