CID 5892252

618077-21-7

Structural Information

Molecular Formula
C24H22ClN3O4S2
SMILES
CCOCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S
InChI
InChI=1S/C24H22ClN3O4S2/c1-2-32-13-7-12-27-23(31)21(34-24(27)33)20-15-8-3-6-11-18(15)28(22(20)30)14-19(29)26-17-10-5-4-9-16(17)25/h3-6,8-11H,2,7,12-14H2,1H3,(H,26,29)/b21-20-
InChIKey
APGJZSVUBYCPBI-MRCUWXFGSA-N
Compound name
N-(2-chlorophenyl)-2-[(3Z)-3-[3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.07404 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.08132 220.4
[M+Na]+ 538.06326 230.5
[M+NH4]+ 533.10786 225.8
[M+K]+ 554.03720 222.8
[M-H]- 514.06676 223.6
[M+Na-2H]- 536.04871 222.7
[M]+ 515.07349 223.6
[M]- 515.07459 223.6
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.