CID 2139061

617694-84-5

Structural Information

Molecular Formula
C22H19N3O5S2
SMILES
CN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=C(C=C4)OC)OC)/SC1=S
InChI
InChI=1S/C22H19N3O5S2/c1-24-21(28)19(32-22(24)31)18-13-6-4-5-7-15(13)25(20(18)27)11-17(26)23-14-9-8-12(29-2)10-16(14)30-3/h4-10H,11H2,1-3H3,(H,23,26)/b19-18-
InChIKey
UMDZVACGCNYEQV-HNENSFHCSA-N
Compound name
N-(2,4-dimethoxyphenyl)-2-[(3Z)-3-(3-methyl-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

469.0766 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.08388 210.8
[M+Na]+ 492.06582 220.3
[M+NH4]+ 487.11042 215.7
[M+K]+ 508.03976 214.7
[M-H]- 468.06932 213.7
[M+Na-2H]- 490.05127 212.8
[M]+ 469.07605 213.5
[M]- 469.07715 213.5
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.