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]+ 438.094076 204.5
[M+Na]+ 460.076018 213.1
[M-H]- 436.079524 212.8
[M+NH4]+ 455.120623 216.9
[M+K]+ 476.049958 205.3
[M+H-H2O]+ 420.084060 198.3
[M+HCOO]- 482.085001 213.7
[M+CH3COO]- 496.100651 213.1
[M+Na-2H]- 458.061466 198.4
[M]+ 437.08625142 207.1
[M]- 437.08734858 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.