CID 2139174

N-(2-chlorophenyl)-2-[(3z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1h-indol-1-yl]acetamide

Structural Information

Molecular Formula
C22H18ClN3O3S2
SMILES
CCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S
InChI
InChI=1S/C22H18ClN3O3S2/c1-2-11-25-21(29)19(31-22(25)30)18-13-7-3-6-10-16(13)26(20(18)28)12-17(27)24-15-9-5-4-8-14(15)23/h3-10H,2,11-12H2,1H3,(H,24,27)/b19-18-
InChIKey
OHCXVNJUARZIAZ-HNENSFHCSA-N
Compound name
N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.04782 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.05510 209.7
[M+Na]+ 494.03704 220.7
[M+NH4]+ 489.08164 216.0
[M+K]+ 510.01098 212.9
[M-H]- 470.04054 213.4
[M+Na-2H]- 492.02249 212.7
[M]+ 471.04727 213.2
[M]- 471.04837 213.2
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.