CID 5911957

2-[(3z)-3-(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2-methylphenyl)acetamide

Structural Information

Molecular Formula
C23H19N3O3S2
SMILES
CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC=C)/C2=O
InChI
InChI=1S/C23H19N3O3S2/c1-3-12-25-22(29)20(31-23(25)30)19-15-9-5-7-11-17(15)26(21(19)28)13-18(27)24-16-10-6-4-8-14(16)2/h3-11H,1,12-13H2,2H3,(H,24,27)/b20-19-
InChIKey
BFYGQONMBNKLFW-VXPUYCOJSA-N
Compound name
N-(2-methylphenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-prop-2-enyl-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

449.0868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.09408 208.6
[M+Na]+ 472.07602 217.7
[M-H]- 448.07952 217.0
[M+NH4]+ 467.12062 220.6
[M+K]+ 488.04996 209.1
[M+H-H2O]+ 432.08406 202.5
[M+HCOO]- 494.08500 217.5
[M+CH3COO]- 508.10065 217.0
[M+Na-2H]- 470.06147 201.4
[M]+ 449.08625 211.2
[M]- 449.08735 211.2
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.