CID 5943171

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

Structural Information

Molecular Formula
C22H19N3O3S2
SMILES
CN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NCCC4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C22H19N3O3S2/c1-24-21(28)19(30-22(24)29)18-15-9-5-6-10-16(15)25(20(18)27)13-17(26)23-12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,23,26)/b19-18-
InChIKey
KDNPUBRGYBIXLD-HNENSFHCSA-N
Compound name
2-[(3Z)-3-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.0868 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.09408 204.5
[M+Na]+ 460.07602 213.1
[M-H]- 436.07952 212.8
[M+NH4]+ 455.12062 216.9
[M+K]+ 476.04996 205.3
[M+H-H2O]+ 420.08406 198.3
[M+HCOO]- 482.08500 213.7
[M+CH3COO]- 496.10065 213.1
[M+Na-2H]- 458.06147 198.4
[M]+ 437.08625 207.1
[M]- 437.08735 207.1
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.